data_2nbk_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 2nbk _Structure_validation_residue.Date_analyzed 2017-06-16 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 ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.886 0.374 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -129.04 129.23 45.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.64 -63.62 1.26 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.4 t -123.87 124.52 69.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.952 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -151.83 129.07 11.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.441 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.83 144.55 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.532 ' HE ' ' NH2' ' A' ' 64' ' ' ARG . 81.7 mtt85 -73.58 148.34 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.202 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.45 149.64 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.08 128.27 9.42 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.475 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 63.2 tttm -87.23 156.57 19.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.643 0.259 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.97 138.6 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.533 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' THR . 39.1 t -78.01 112.3 14.78 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.1 tp -117.63 122.18 42.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.15 133.53 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.896 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.61 -108.23 0.16 Allowed Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -123.32 66.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.135 0.493 . . . . 0.0 110.217 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.51 129.9 2.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.345 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' B' ' 947' ' ' PRO . 9.9 p -126.82 144.96 35.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.85 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -164.23 161.08 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 122.461 -0.149 . . . . 0.0 110.732 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.11 125.88 19.88 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 121.851 1.701 . . . . 0.0 110.774 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.96 137.48 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 0.0 110.607 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -21.12 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.778 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.526 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 31.9 ttp-105 -92.33 98.49 11.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.18 0.514 . . . . 0.0 110.331 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -74.54 153.32 39.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.119 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 179.06 16.93 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 tt -129.33 129.9 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.708 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.36 122.42 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -128.13 124.95 38.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.602 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.8 mt -129.81 136.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.661 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 3.1 pp0? -147.33 149.68 33.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.534 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -92.27 135.92 33.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.466 . . . . 0.0 111.327 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 p -84.74 -169.87 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -89.89 1.37 56.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -106.72 12.15 29.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.377 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t 71.53 28.56 2.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.84 148.29 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.632 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -100.12 133.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.433 . . . . 0.0 110.38 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -105.08 118.25 36.06 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.643 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -94.9 120.65 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.401 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.4 136.73 52.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.212 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -123.04 109.91 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.147 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.96 167.93 10.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 67' ' ' GLY . 24.8 t0 -101.74 128.43 48.07 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.532 ' NH2' ' HE ' ' A' ' 27' ' ' ARG . 14.9 mmm180 -64.46 -35.53 81.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -84.18 -31.57 25.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.809 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -40.62 7.41 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.009 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 81.81 6.77 88.74 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.381 -1.087 . . . . 0.0 110.381 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -99.95 151.38 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.797 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -73.56 101.1 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.151 0.5 . . . . 0.0 110.494 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.43 -40.3 57.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.479 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -142.97 134.33 26.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.979 0.418 . . . . 0.0 111.048 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 50.9 p-10 -151.4 134.42 15.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -160.61 142.96 12.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.922 0.391 . . . . 0.0 110.187 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.0 mt -75.8 131.03 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.632 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 92.6 mt -122.87 127.19 74.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -94.89 133.24 26.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.954 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.32 88.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.822 1.681 . . . . 0.0 112.624 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER 168.95 -42.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.826 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.416 ' C ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -94.56 100.12 12.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 170.15 77.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.529 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -91.85 120.26 32.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -111.63 143.48 42.45 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.867 0.365 . . . . 0.0 110.705 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -134.8 161.62 34.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.233 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -111.68 129.57 56.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.929 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.93 93.79 31.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.78 84.46 1.98 Allowed 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.758 1.639 . . . . 0.0 112.489 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' B' ' 946' ' ' GLU . 15.2 pt20 -69.23 -43.53 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 91' ' ' GLY . 45.2 t -152.81 132.42 7.11 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.323 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.42 -39.95 17.08 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.4 1.4 . . . . 0.0 111.551 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.6 t -61.99 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -130.51 138.89 10.51 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 121.123 -0.561 . . . . 0.0 111.746 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -142.81 160.22 40.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.0 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.422 ' CG2' ' N ' ' A' ' 94' ' ' TYR . 15.0 p -143.78 165.44 14.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.796 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.422 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 89.0 m-85 -115.52 151.82 34.14 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.768 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.52 133.82 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.324 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 60.8 tp -110.61 123.69 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.958 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -110.77 120.71 43.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.4 m-85 -85.22 126.9 34.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.714 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.33 -24.85 63.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.28 -26.18 18.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 103' ' ' LYS . . . -102.85 -19.12 13.62 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 98' ' ' PHE . 15.8 p 59.47 -0.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.988 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER -81.63 162.31 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.449 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.611 HH11 ' HH ' ' B' ' 950' ' ' TYR . 0.0 OUTLIER -120.08 127.03 52.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.214 179.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.1 tp -113.51 130.25 56.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.831 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -109.91 125.82 53.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -156.25 168.4 27.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.277 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.546 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 5.2 p-90 -147.52 156.63 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.455 ' SD ' ' SG ' ' A' ' 121' ' ' CYS . 2.1 mtp -69.08 62.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.14 -9.14 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.17 130.14 89.07 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.976 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.61 -27.74 8.19 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.875 1.717 . . . . 0.0 113.087 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -71.75 50.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.187 0.518 . . . . 0.0 110.455 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.1 m -65.34 -37.37 86.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -56.17 -17.45 7.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.271 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -119.15 22.09 12.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 40.6 p-10 -59.81 -42.63 93.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.019 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 24.4 pt-20 -71.33 -36.0 71.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 110.627 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.46 -42.2 87.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -67.45 -42.13 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.319 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.455 ' SG ' ' SD ' ' A' ' 109' ' ' MET . 93.3 m -65.49 -42.39 92.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.353 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.47 -40.79 96.36 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.256 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.91 67.55 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.243 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.51 -41.06 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.702 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -43.5 98.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.802 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.44 -42.41 92.45 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.754 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.96 -41.1 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.896 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.73 -40.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.607 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 -179.41 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 CA-C-O 120.756 0.231 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.3 108.65 51.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.16 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.11 161.09 32.84 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.962 1.774 . . . . 0.0 113.216 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.58 -174.4 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 123.236 2.624 . . . . 0.0 111.488 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 946' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 87' ' ' GLN . 99.5 mt-10 -128.01 148.61 68.11 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 947' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.4 Cg_endo -67.03 134.11 33.19 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 121.362 1.374 . . . . 0.0 114.108 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 948' ' ' PHE . . . . . 0.449 ' H ' HG13 ' A' ' 38' ' ' VAL . 38.5 p90 -154.5 166.7 32.47 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.048 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' B' ' 949' ' ' GLU . 59.1 mp0 -94.01 120.59 34.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.128 0.49 . . . . 0.0 109.723 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 950' ' ' TYR . . . . . 0.611 ' HH ' HH11 ' A' ' 104' ' ' ARG . 25.4 t80 -92.88 115.1 27.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.793 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 951' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 953' ' ' ASP . 17.8 tt -134.23 115.68 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.774 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 952' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 952' ' ' ASP . 54.3 p-10 -60.92 80.82 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.256 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 953' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 951' ' ' ILE . 68.3 t0 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.915 0.388 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -118.94 70.23 0.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.9 -49.01 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 110.3 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.41 141.02 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -151.0 123.92 8.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CE2' ' CE1' ' A' ' 120' ' ' HIS . 66.3 m-85 -138.31 148.74 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.168 0.509 . . . . 0.0 111.39 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.579 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 84.6 mtp180 -82.65 147.37 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.349 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.527 ' HA ' HE22 ' A' ' 110' ' ' GLN . . . -160.81 150.85 17.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.138 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.719 ' N ' ' NE2' ' A' ' 110' ' ' GLN . . . -110.16 142.47 16.55 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 30.1 tttt -83.86 -163.24 0.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 0.0 110.189 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -138.43 142.51 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.584 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -78.23 129.96 35.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.189 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 121.73 41.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.095 0.474 . . . . 0.0 111.121 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -155.37 135.02 12.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.013 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.67 55.35 2.7 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 48.42 64.68 1.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.636 0.731 . . . . 0.0 109.519 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -153.4 114.85 4.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.537 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.79 114.29 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.08 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.494 ' O ' ' SD ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -131.57 175.87 3.35 Favored Pre-proline 0 N--CA 1.451 -0.381 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 179.24 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.36 134.5 52.19 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.185 1.923 . . . . 0.0 112.558 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 30' ' ' LYS . 34.4 p-10 -92.25 138.25 31.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.759 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -80.59 -7.91 59.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.544 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.3 ttm105 -97.5 120.54 38.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.399 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -87.15 143.05 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.934 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.63 175.15 19.15 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' CD1' ' HH ' ' A' ' 48' ' ' TYR . 3.3 tt -131.2 141.48 50.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.956 0.408 . . . . 0.0 110.801 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 82.3 t -106.83 122.36 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.983 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.486 ' HH ' ' CD1' ' A' ' 46' ' ' LEU . 49.8 m-85 -116.68 130.93 57.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.788 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mm -124.16 127.06 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.554 HE22 ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -135.7 137.89 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.302 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -99.85 128.97 45.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.476 ' OG1' ' NE2' ' A' ' 58' ' ' HIS . 6.2 m -93.83 156.16 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.583 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.2 -26.18 68.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 55' ' ' SER . 56.2 m-20 -68.95 -2.96 11.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER 82.42 26.27 0.16 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.103 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mp -119.24 142.87 47.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 tp -100.13 147.84 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.19 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.554 ' CD2' HE22 ' A' ' 50' ' ' GLN . 4.7 m-70 -114.33 124.68 52.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -109.18 112.55 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.47 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.0 t -120.67 130.5 54.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -108.93 112.4 24.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.168 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -106.94 139.05 41.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.372 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 67' ' ' GLY . 59.3 t0 -82.03 118.43 22.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.474 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.579 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 32.5 mtp180 -68.26 -37.82 81.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.517 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.2 m -60.87 -45.36 94.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.7 m -94.22 -25.15 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.101 0.476 . . . . 0.0 110.42 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 73.33 14.01 79.5 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -114.82 154.58 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.693 0.282 . . . . 0.0 111.153 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.65 123.27 18.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.9 -44.56 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.735 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -159.89 150.28 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -152.01 148.42 27.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.236 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.73 142.55 12.35 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.026 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -83.12 136.19 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.696 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.8 mt -119.69 129.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.546 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.74 153.64 61.07 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.918 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 79' ' ' ASP . 69.2 Cg_exo -51.4 142.84 36.84 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.522 1.481 . . . . 0.0 112.06 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 69.04 -12.85 0.38 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.218 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 77' ' ' PRO . 8.0 t70 -89.62 77.56 7.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.038 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.77 101.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.392 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -102.44 132.76 48.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -104.77 137.64 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.262 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.92 147.76 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -119.05 135.05 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.406 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.472 ' O ' ' NE2' ' A' ' 87' ' ' GLN . 28.2 m -116.17 90.95 30.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.795 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.92 112.6 1.02 Allowed 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.191 1.927 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.614 HE22 ' CG2' ' A' ' 93' ' ' VAL . 2.2 mt-30 -113.63 -37.17 4.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.499 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.85 157.93 46.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.781 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -29.88 31.97 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.612 2.208 . . . . 0.0 112.292 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.5 m -105.41 -3.7 22.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.83 148.37 18.8 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -141.1 130.68 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.724 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.614 ' CG2' HE22 ' A' ' 87' ' ' GLN . 84.3 t -131.31 133.39 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.657 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -109.24 130.36 55.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.248 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.42 122.38 68.0 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.67 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.9 mt -106.98 129.81 54.72 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.384 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -116.93 132.07 56.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.358 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -86.87 112.0 21.33 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -61.52 -33.12 73.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.0 69.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.322 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.93 -129.26 3.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.508 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 52.6 p -156.97 25.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.607 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -86.26 140.29 30.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 102' ' ' SER . 4.5 mpt_? -122.49 129.53 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.291 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tt -110.44 132.25 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.942 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 31.1 m-85 -112.17 120.29 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -151.72 164.7 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.583 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.536 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 3.0 p-90 -143.65 155.37 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.304 0.574 . . . . 0.0 110.624 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 111' ' ' GLU . 22.0 mmm -80.54 63.16 4.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.096 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.719 ' NE2' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -65.28 2.9 0.73 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.081 0.467 . . . . 0.0 110.271 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 109' ' ' MET . 21.4 pt-20 -61.1 150.36 79.09 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.821 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.76 -29.38 80.41 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.934 1.756 . . . . 0.0 112.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -63.42 -71.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 111.284 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.0 m 44.06 27.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -112.66 -7.4 13.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -137.19 25.97 2.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.111 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.65 -41.12 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.081 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.98 -40.73 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.42 -39.86 74.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.512 ' CE1' ' CE2' ' A' ' 26' ' ' PHE . 48.1 m170 -63.59 -43.48 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.084 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -62.03 -43.52 98.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.755 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -37.7 84.35 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.148 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.71 -43.41 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 129' ' ' ASN . 98.9 m-20 -65.34 -37.69 87.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.135 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.29 -43.12 92.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.061 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -71.22 -34.3 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.8 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.07 -23.95 35.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.617 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 125' ' ' ASN . 58.5 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.31 . . . . 0.0 111.158 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.49 1.303 0 N-CA-C 111.694 -0.156 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -114.1 94.69 35.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.37 142.83 46.16 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.403 2.069 . . . . 0.0 112.872 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.52 -178.11 2.1 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.501 2.134 . . . . 0.0 111.914 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -110.53 149.71 40.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -60.55 130.8 35.0 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.063 1.842 . . . . 0.0 112.809 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 948' ' ' PHE . . . . . 0.527 ' CE2' ' OE1' ' A' ' 87' ' ' GLN . 45.4 p90 -146.48 153.18 40.12 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.708 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -86.98 126.22 34.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.142 0.496 . . . . 0.0 110.814 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -97.77 97.3 8.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.835 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 951' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 953' ' ' ASP . 3.9 mm -118.78 122.32 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.102 -0.953 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.98 80.12 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.882 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 953' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.1 p-10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.455 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 pttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.683 0.278 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -127.94 123.03 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 tp -99.7 -49.88 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.689 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 81.9 t -137.2 129.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.596 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -156.49 133.55 10.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.482 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.605 ' CZ ' ' CE1' ' A' ' 120' ' ' HIS . 79.2 m-85 -154.94 155.71 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -72.32 148.64 45.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.36 135.41 10.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.4 . . . . 0.0 110.649 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -88.79 151.82 22.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -96.98 166.52 11.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.657 0.265 . . . . 0.0 110.296 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.4 mtp -124.86 144.48 50.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.347 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.659 ' HG ' ' NZ ' ' A' ' 34' ' ' LYS . 34.7 t -76.96 151.38 35.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.88 107.85 8.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.84 0.352 . . . . 0.0 110.63 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.659 ' NZ ' ' HG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -134.38 127.48 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 34.2 63.68 0.42 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p 50.24 63.75 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 109.994 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -149.51 113.39 5.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.554 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.2 t -103.38 115.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.417 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.77 156.95 70.7 Favored Pre-proline 0 N--CA 1.446 -0.672 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.612 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -49.04 127.74 17.9 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.755 1.637 . . . . 0.0 112.966 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 63.6 t0 -99.01 133.27 43.51 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 26.5 pttm -59.22 -14.85 12.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.388 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -82.32 129.9 34.97 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.878 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -116.8 142.33 47.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.394 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.87 -174.48 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -130.14 138.77 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 111.132 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.3 t -93.17 122.89 45.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.73 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 120.63 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.0 mt -131.07 129.8 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.848 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.537 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -148.86 140.75 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.022 179.124 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -90.72 126.98 36.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 110.788 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 174.02 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -74.42 -2.85 27.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.709 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.52 12.99 36.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.508 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m 67.15 32.5 6.1 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.9 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -117.5 143.83 45.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.855 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.69 120.14 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.169 0.509 . . . . 0.0 110.583 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -88.25 114.47 24.9 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.59 118.12 35.77 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.138 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.2 m -130.99 133.24 45.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -112.17 110.97 21.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.096 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -104.7 135.37 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.133 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 67' ' ' GLY . 45.1 m-20 -77.51 121.9 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.724 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -71.53 -40.72 69.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -38.74 91.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.938 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -99.04 -27.39 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 74.21 12.93 81.63 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -110.85 148.34 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 111.149 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.45 139.07 21.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -115.89 -41.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -142.11 135.29 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.797 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 47.0 p-10 -151.23 104.9 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -144.75 142.66 30.19 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.764 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 tp -74.61 140.55 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.94 132.02 72.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.259 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 25.0 m-85 -87.93 150.72 48.4 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.6 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.496 ' C ' ' H ' ' A' ' 79' ' ' ASP . 50.3 Cg_exo -54.15 142.21 67.34 Favored 'Trans proline' 0 N--CA 1.498 1.735 0 C-N-CA 121.814 1.676 . . . . 0.0 112.178 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 72.48 -17.92 0.36 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.163 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 77' ' ' PRO . 36.3 t0 -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.554 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.7 t -114.67 120.61 40.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.795 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -106.42 137.72 43.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -104.78 143.52 33.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.473 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -135.25 153.74 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.936 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -112.04 126.49 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.284 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 33.5 m -115.3 91.19 27.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.08 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.36 119.52 4.2 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 122.419 2.079 . . . . 0.0 111.849 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.33 -36.63 7.54 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 90' ' ' SER . 11.3 p -136.75 151.6 72.82 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.05 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.19 -38.42 41.06 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 122.136 1.891 . . . . 0.0 112.512 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.508 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 40.7 t -103.01 127.88 50.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.67 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 123.51 149.89 7.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.498 ' NH2' ' OD2' ' A' ' 117' ' ' ASP . 86.6 mtm180 -132.89 132.52 42.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.503 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.53 148.91 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -140.87 159.64 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.317 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.0 p -135.97 142.58 38.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.361 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -104.54 142.3 34.87 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.387 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.33 116.48 25.62 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.075 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.548 ' O ' ' N ' ' A' ' 102' ' ' SER . 41.1 m-85 -89.9 109.54 20.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.36 -10.95 59.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.801 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -93.79 -15.0 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.131 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.99 4.5 2.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 98' ' ' PHE . 25.8 m 49.3 32.32 4.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.831 0.348 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -90.22 141.31 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -120.67 119.41 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.705 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 89.4 mt -114.63 139.21 49.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.452 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -116.54 126.22 53.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.621 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -142.21 161.82 37.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.514 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 3.8 p-90 -144.38 155.91 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.531 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.9 mmm -77.11 62.76 2.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.947 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -8.31 7.43 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.028 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.31 148.91 78.27 Favored Pre-proline 0 N--CA 1.445 -0.683 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.405 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.09 -43.78 46.26 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 121.976 1.784 . . . . 0.0 112.999 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.41 ' NZ ' ' OD2' ' A' ' 115' ' ' ASP . 3.8 ptmt 177.84 -172.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.545 ' C ' ' H ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -169.48 -18.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 179.697 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.41 ' OD2' ' NZ ' ' A' ' 113' ' ' LYS . 34.9 m-20 61.29 -2.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.545 ' H ' ' C ' ' A' ' 114' ' ' THR . 95.7 mt-30 -136.41 27.34 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.313 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.498 ' OD2' ' NH2' ' A' ' 92' ' ' ARG . 65.9 t0 -59.13 -43.79 92.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.36 -46.16 87.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.96 -40.45 91.29 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.605 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 50.4 m170 -65.21 -46.72 79.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.79 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.61 -48.08 78.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -63.46 -45.01 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.755 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -41.92 94.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 120' ' ' HIS . 54.2 t -63.7 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.452 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.4 -42.4 98.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.861 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.46 -41.74 88.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.924 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -61.43 -44.25 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.79 -24.17 58.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.58 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 58.5 t30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 N--CA 1.497 1.727 0 CA-C-O 120.645 0.186 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 943' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' B' ' 943' ' ' GLU . 56.6 mp0 -117.64 86.56 23.86 Favored Pre-proline 0 C--O 1.236 0.348 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 944' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 945' ' ' PRO . 51.3 Cg_exo -53.91 133.24 53.84 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.191 1.928 . . . . 0.0 113.089 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 945' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 944' ' ' PRO . 50.4 Cg_exo -48.43 -175.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.679 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -119.67 149.27 47.88 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.116 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.04 128.32 21.88 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.021 1.814 . . . . 0.0 113.039 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 948' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 23.3 p90 -153.27 145.91 24.24 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' B' ' 949' ' ' GLU . 34.2 mp0 -86.36 132.14 34.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.813 0.339 . . . . 0.0 111.152 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.53 111.65 23.69 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.244 0.545 . . . . 0.0 110.203 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 951' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.2 tt -130.46 120.0 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.148 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.49 81.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.209 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 953' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 25' ' ' GLU . 3.8 m-30 -87.08 94.92 9.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.5 tp -100.16 -43.71 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.275 0.559 . . . . 0.0 109.869 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.0 t -139.51 135.32 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' OE1' ' CD2' ' A' ' 22' ' ' TYR . 8.8 pt-20 -164.03 149.35 10.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE2' ' OE1' ' A' ' 111' ' ' GLU . 2.8 t80 -171.85 150.09 2.57 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.692 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -75.33 155.0 37.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.21 156.14 30.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.195 0.522 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 141.61 16.62 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.188 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -100.42 163.1 12.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 80.4 mtp -113.69 140.66 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.518 ' OG ' ' NZ ' ' A' ' 34' ' ' LYS . 25.2 t -77.75 122.98 26.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -111.57 121.77 46.03 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.992 0.425 . . . . 0.0 110.957 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' NZ ' ' OG ' ' A' ' 32' ' ' SER . 5.0 ptpt -153.42 139.15 17.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.475 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.27 3.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.57 64.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.57 0.7 . . . . 0.0 109.514 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m -151.39 106.39 3.29 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.822 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.9 t -95.92 106.48 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.351 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -127.24 158.71 68.43 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.43 126.96 20.49 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 121.61 1.54 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -85.09 143.67 28.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.09 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.38 -9.35 59.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -87.55 126.07 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.798 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -85.84 152.86 22.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.36 163.72 25.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.4 tt -125.88 134.35 51.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.805 0.336 . . . . 0.0 110.44 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.69 120.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.323 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -120.13 124.97 47.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.363 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.7 mt -129.0 130.95 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.182 0.515 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.55 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -145.53 138.79 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.614 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -94.14 129.53 40.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -78.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -179.37 -22.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.54 26.96 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m 70.9 26.09 3.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.5 mt -109.25 136.85 48.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.292 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.6 133.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.183 0.516 . . . . 0.0 110.665 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -98.81 110.26 22.89 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.48 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -94.58 116.89 29.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.126 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -122.51 130.83 53.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.476 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -112.17 110.31 20.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -103.18 147.33 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.02 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 67' ' ' GLY . 7.8 m-20 -96.98 124.48 40.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.504 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -66.78 -40.59 88.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.076 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.1 m -65.0 -45.47 85.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.7 m -86.55 -29.16 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.087 0.47 . . . . 0.0 110.152 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.13 16.36 75.03 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -122.71 163.78 19.5 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.121 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -75.27 126.21 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.04 -40.46 9.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.69 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -151.73 138.64 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 51.8 p-10 -150.74 131.18 13.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.33 151.05 16.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.993 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.0 mt -81.83 134.83 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.64 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.07 125.16 74.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.006 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -71.26 152.67 94.37 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.198 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 24.5 Cg_endo -62.52 140.48 81.93 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 121.486 1.457 . . . . 0.0 111.083 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 7.2 t0 76.65 -13.82 0.89 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.43 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -87.42 77.31 8.9 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.198 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 79' ' ' ASP . 0.8 OUTLIER 171.25 97.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.378 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 82' ' ' PHE . 1.3 tm-20 -82.27 131.99 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.463 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.6 p90 -115.67 134.56 54.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.945 0.402 . . . . 0.0 110.6 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -143.38 167.66 21.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.56 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -114.83 145.55 42.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.562 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.31 91.05 31.55 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 108.36 0.55 Allowed 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.909 1.74 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CG ' ' B' ' 948' ' ' PHE . 91.7 mm-40 -113.49 -26.12 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -149.75 152.91 35.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.65 -22.74 70.13 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.409 2.073 . . . . 0.0 112.019 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.1 t -114.82 112.46 22.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.05 163.96 37.87 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -164.61 167.56 19.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 110.61 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.18 155.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.81 143.18 34.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.1 p -123.58 130.45 74.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -110.53 121.23 44.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.209 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.99 128.05 55.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.367 0.417 . . . . 0.0 110.103 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CE1' ' NZ ' ' A' ' 103' ' ' LYS . 66.3 m-85 -87.42 119.48 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -64.8 -35.57 81.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.167 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.35 70.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.78 -148.09 7.27 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 p -142.27 11.85 1.95 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.839 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.585 ' NZ ' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -82.23 154.39 25.44 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.678 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.439 ' NE ' ' OH ' ' B' ' 950' ' ' TYR . 0.0 OUTLIER -133.82 137.96 45.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.127 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -116.16 149.85 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -115.1 115.62 27.08 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.257 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -137.22 152.47 49.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.212 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.461 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 4.3 p-90 -149.61 155.75 40.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.43 ' O ' ' CG2' ' A' ' 114' ' ' THR . 0.0 OUTLIER -71.65 62.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.207 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.56 -23.63 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.504 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.516 ' OE1' ' CE2' ' A' ' 26' ' ' PHE . 87.9 tt0 -46.55 124.24 7.5 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.88 -25.87 16.76 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.503 2.135 . . . . 0.0 113.393 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 115' ' ' ASP . 25.1 mtpp -61.97 -45.05 95.35 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.418 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 113' ' ' LYS . 1.9 p 22.02 40.86 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.066 0.854 . . . . 0.0 111.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 113' ' ' LYS . 97.8 m-20 -101.53 -28.56 12.47 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -122.15 27.13 8.16 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.131 0.491 . . . . 0.0 110.146 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 34.7 p-10 -58.88 -38.47 78.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.88 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.5 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 98.9 mt-10 -65.36 -41.87 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.41 -40.47 81.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.49 ' NE2' ' CE1' ' A' ' 26' ' ' PHE . 47.7 m-70 -64.05 -42.69 96.96 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.776 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 118' ' ' GLU . 22.3 p -69.76 -37.19 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.919 0.39 . . . . 0.0 110.277 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . 0.409 ' N ' ' SG ' ' A' ' 121' ' ' CYS . 24.0 mmt180 -73.1 -41.77 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.099 0.476 . . . . 0.0 110.184 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -67.79 -43.59 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.904 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.53 -37.81 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.452 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -61.58 -44.22 97.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.017 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.96 -44.11 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.03 -42.3 89.79 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.424 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.66 -29.57 59.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 110.604 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.562 -179.865 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 N--CA 1.496 1.634 0 CA-C-O 120.867 0.278 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 943' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' B' ' 943' ' ' GLU . 0.8 OUTLIER -100.06 108.08 50.24 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.595 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 944' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 945' ' ' PRO . 83.9 Cg_exo -50.69 131.25 32.89 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.075 1.85 . . . . 0.0 112.369 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 945' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 944' ' ' PRO . 52.3 Cg_exo -48.72 -177.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.812 1.675 . . . . 0.0 112.193 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 946' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' B' ' 946' ' ' GLU . 40.3 mp0 -114.75 150.7 44.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.592 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.44 131.96 43.57 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.052 1.834 . . . . 0.0 112.803 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 948' ' ' PHE . . . . . 0.525 ' CG ' ' OE1' ' A' ' 87' ' ' GLN . 42.6 p90 -149.16 159.92 43.82 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -92.61 123.25 35.77 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.303 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 950' ' ' TYR . . . . . 0.439 ' OH ' ' NE ' ' A' ' 104' ' ' ARG . 23.4 t80 -94.78 96.8 9.61 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.689 0.756 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 951' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.8 mt -121.68 127.74 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-N 114.225 -1.352 . . . . 0.0 108.939 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -65.29 80.45 0.05 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.858 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 953' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.1 t0 . . . . . 0 C--O 1.221 -0.446 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.611 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' CG ' ' H ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.818 0.342 . . . . 0.0 110.975 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.421 ' H ' ' CG ' ' A' ' 21' ' ' LYS . 74.4 m-85 -114.86 124.05 50.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.319 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.81 -62.91 1.37 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.049 0.452 . . . . 0.0 110.055 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.08 118.01 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.439 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 20.6 pm0 -140.7 143.01 34.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.779 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER 179.59 173.84 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 mtm-85 -88.64 164.25 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.426 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.76 159.23 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.67 144.38 17.92 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -92.08 -171.75 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.597 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 62.7 mtp -130.71 137.84 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.379 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.7 108.65 9.87 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.9 tp -104.26 103.67 13.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.393 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 21.9 mtmt -140.04 136.24 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.688 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' ' 36' ' ' THR . . . 39.44 56.26 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' GLY . 5.5 p 49.37 63.53 2.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 -178.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.1 m -146.63 109.09 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.562 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.1 t -101.64 102.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.671 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.16 161.21 55.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 123.328 0.392 . . . . 0.0 110.297 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.97 123.28 13.48 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.386 2.057 . . . . 0.0 112.469 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -71.42 129.04 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.616 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -64.35 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.496 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -80.56 146.19 31.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -102.7 137.57 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.1 160.86 13.0 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' LYS . 25.4 tp -117.74 120.69 38.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.665 0.269 . . . . 0.0 110.292 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -92.39 116.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -130.28 121.62 26.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.689 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.0 mt -131.67 130.8 62.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.671 HE22 ' HG1' ' A' ' 52' ' ' THR . 0.0 OUTLIER -128.92 134.11 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.286 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -89.73 129.14 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.671 ' HG1' HE22 ' A' ' 50' ' ' GLN . 2.0 m -134.03 143.89 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.222 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.73 -21.68 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -104.08 5.33 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -155.92 14.46 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.067 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt 54.94 -151.89 0.37 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.5 mp -87.47 126.18 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -101.21 114.64 28.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -94.6 120.86 35.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.595 ' HG ' ' HZ3' ' A' ' 62' ' ' LYS . 47.2 t -127.03 130.3 49.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.457 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -120.87 111.59 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.297 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HZ3' ' HG ' ' A' ' 60' ' ' CYS . 1.1 mtpp -110.19 156.38 20.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.611 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 67' ' ' GLY . 35.0 p30 -97.07 125.19 41.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.687 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -66.67 -29.08 69.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.078 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -67.41 -29.71 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.05 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.693 ' HG ' ' H ' ' A' ' 68' ' ' ASN . 1.1 p -116.22 -20.92 9.61 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.85 18.4 72.41 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.693 ' H ' ' HG ' ' A' ' 66' ' ' SER . 66.6 t30 -114.52 154.0 29.02 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 111.293 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.26 134.22 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.378 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.83 -36.68 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.508 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -166.29 132.13 2.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 49.1 p-10 -136.43 130.67 33.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.605 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.6 mt -143.4 148.4 36.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.294 0.569 . . . . 0.0 110.496 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -84.51 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.355 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.4 mm -113.55 124.02 69.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.265 0.555 . . . . 0.0 110.355 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -75.75 149.02 82.95 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.391 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 41.7 Cg_endo -67.38 64.73 0.74 Allowed 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.595 2.196 . . . . 0.0 112.149 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 163.57 -19.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 67.1 t0 -96.42 98.81 10.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.649 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 165.86 99.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.446 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -107.9 128.76 54.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.282 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -109.43 137.55 47.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -124.26 147.26 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -118.15 133.41 55.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.1 m -115.2 89.41 20.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.875 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -83.51 83.49 1.83 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -102.46 -11.68 18.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.65 150.61 60.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.81 -20.92 58.53 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.539 2.16 . . . . 0.0 112.249 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.5 t -137.99 146.28 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.74 40.66 4.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.12 141.9 58.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.258 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.5 m -128.91 156.95 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -117.27 137.4 52.43 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.1 t -118.69 121.71 67.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.01 134.65 41.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.565 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -124.81 129.5 50.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 101' ' ' GLY . 54.9 m-85 -87.24 119.78 27.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -65.58 -31.21 72.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.88 -23.46 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 98' ' ' PHE . . . -146.36 -152.07 5.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 p -122.21 14.62 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.596 ' NZ ' ' CB ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -65.24 132.97 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.546 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.3 129.59 55.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 mt -115.33 133.69 55.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.348 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.94 124.2 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -156.52 167.59 29.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.481 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 8.7 p-90 -145.03 159.54 42.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 61.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.81 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.55 HE21 ' C ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -65.29 -12.57 53.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.915 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -61.95 148.27 88.4 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.253 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.64 -24.07 63.02 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.495 2.13 . . . . 0.0 112.472 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -83.13 93.06 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.06 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -107.35 16.4 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.909 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.82 -4.22 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -136.11 23.06 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.345 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.4 -41.01 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -69.37 -40.49 77.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.13 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -65.27 -46.18 81.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.426 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.6 t -61.33 -47.22 86.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.49 -45.37 76.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.81 -44.61 89.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.51 -44.26 98.67 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.76 -40.24 96.21 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.739 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.49 -44.6 93.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.904 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -65.0 -44.01 90.64 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.192 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.425 -179.662 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 N--CA 1.496 1.642 0 CA-C-O 120.576 0.157 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -94.63 112.94 59.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.421 -0.511 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.3 150.6 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.699 1.599 . . . . 0.0 113.277 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.01 -176.57 1.32 Allowed 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.955 2.436 . . . . 0.0 111.601 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -118.25 151.8 49.8 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.83 128.78 27.99 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.244 1.963 . . . . 0.0 112.576 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 948' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 30.7 p90 -148.43 150.73 33.99 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.564 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -86.07 125.4 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.821 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -88.25 109.77 20.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.193 0.52 . . . . 0.0 110.252 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 951' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' B' ' 953' ' ' ASP . 17.9 tt -134.79 117.08 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.171 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 952' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 952' ' ' ASP . 53.1 p-10 -58.02 81.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.679 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 953' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' B' ' 951' ' ' ILE . 59.2 p30 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.677 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.788 0.327 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -80.8 101.15 9.17 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -79.83 -44.65 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.697 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.8 t -130.12 129.49 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -159.78 141.89 13.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -159.44 159.14 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -83.29 149.02 27.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.406 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.66 149.14 26.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.228 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -107.58 141.89 15.73 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 173.93 7.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.5 mtp -124.67 141.75 51.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -77.13 142.75 39.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.32 118.25 27.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.834 0.35 . . . . 0.0 110.607 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' GLY . 40.8 mttt -144.9 125.1 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 30.73 66.91 0.13 Allowed Glycine 0 N--CA 1.469 0.886 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 35' ' ' GLY . 1.4 p 50.16 63.63 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.164 -178.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.5 m -149.1 123.17 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -116.73 120.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 123.137 0.273 . . . . 0.0 111.022 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.561 ' HG1' ' N ' ' A' ' 40' ' ' PRO . 0.3 OUTLIER -143.81 161.33 46.66 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.549 179.47 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.561 ' N ' ' HG1' ' A' ' 39' ' ' THR . 12.6 Cg_endo -56.33 122.67 12.2 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.044 1.83 . . . . 0.0 111.928 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.18 143.26 35.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.481 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -71.57 -27.48 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.705 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -75.7 146.64 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.18 134.28 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.987 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.83 146.14 17.02 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.1 tp -115.97 124.78 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.0 t -98.98 116.31 41.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -120.58 123.62 43.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.316 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.7 mt -124.68 129.2 73.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.036 0.446 . . . . 0.0 110.749 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -135.61 134.51 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.381 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -98.79 125.7 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.2 p -87.88 171.46 10.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -75.1 -0.91 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.759 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -95.64 8.73 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 69.54 26.4 5.11 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 mt -116.58 137.43 52.18 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.699 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.58 131.93 44.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 121.047 0.451 . . . . 0.0 110.563 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -98.55 115.44 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.729 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.43 117.69 34.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.264 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.6 t -125.37 125.32 43.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.324 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.548 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 80.6 t90 -117.37 109.92 17.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.669 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -114.44 147.52 39.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.585 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.6 m-20 -79.62 101.01 8.09 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.876 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -51.55 -29.72 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.86 0.362 . . . . 0.0 110.427 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 -44.93 96.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -104.59 -16.17 15.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.68 15.8 69.17 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -101.65 137.7 39.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -65.23 135.8 27.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 10.3 mm-40 -115.6 -41.15 3.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.826 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 70' ' ' GLU . 7.5 m-20 -143.46 135.2 26.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.675 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 45.1 p-10 -152.67 117.8 5.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 tp -155.59 144.69 20.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.945 0.403 . . . . 0.0 110.067 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.0 mt -76.29 138.14 21.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.64 124.48 73.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 78' ' ' ASP . 79.9 m-85 -78.3 124.27 85.71 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.069 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 67.1 Cg_exo -44.15 82.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.02 1.813 . . . . 0.0 112.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER 163.94 -24.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.75 179.521 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 99.0 m-20 -103.87 104.16 14.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 161.78 96.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.097 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -105.58 135.04 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.208 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -111.83 147.59 35.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.838 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -135.49 149.08 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.7 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -112.83 129.28 56.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.143 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -114.39 91.44 24.18 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.473 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -83.09 84.51 1.72 Allowed 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 122.518 2.145 . . . . 0.0 112.441 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.81 -30.88 16.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 91.0 m -134.34 148.62 68.45 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.767 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.64 -23.5 49.21 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.424 2.083 . . . . 0.0 112.263 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.433 ' OG ' ' OE2' ' B' ' 943' ' ' GLU . 29.7 t -101.2 127.1 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.893 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.56 162.67 38.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -135.91 134.14 38.4 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.176 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.4 t -124.15 128.64 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.19 145.34 45.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.36 131.64 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.89 117.31 33.72 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -105.84 118.11 35.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.582 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -90.38 96.75 10.81 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -62.5 -19.51 63.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.59 66.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.005 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.46 6.63 3.92 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 98' ' ' PHE . 34.8 m 54.82 46.72 23.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.59 0.233 . . . . 0.0 110.81 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -110.74 138.72 46.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.657 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.547 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -114.15 135.21 54.28 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.91 150.07 48.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.0 127.44 55.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.893 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -151.8 157.48 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.518 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 5.6 p-90 -148.49 158.46 44.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.58 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mmm -70.33 59.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.775 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.411 ' CG ' ' CH2' ' A' ' 108' ' ' TRP . 19.9 tm0? -65.72 -17.71 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.76 149.17 80.76 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.546 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.85 -37.01 76.42 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.078 1.852 . . . . 0.0 112.665 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -69.92 97.62 1.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.549 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.7 t -121.46 7.7 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.378 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.01 -5.79 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.83 27.1 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.053 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 117' ' ' ASP . 18.2 p-10 -62.33 -37.17 84.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.13 -43.95 96.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.323 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.83 -41.25 92.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -63.69 -44.69 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 92.8 m -65.71 -42.1 91.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -63.91 -43.89 94.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.79 80.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.24 -41.84 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.61 -41.05 98.77 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.76 -45.06 95.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.872 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.94 -45.26 93.2 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.917 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.87 -30.36 65.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.76 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 65.4 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.789 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo . . . . . 0 N--CA 1.491 1.329 0 CA-C-O 120.618 0.174 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 943' ' ' GLU . . . . . 0.433 ' OE2' ' OG ' ' A' ' 90' ' ' SER . 87.2 tt0 -123.36 84.57 52.22 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.054 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.08 142.53 94.23 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.9 -177.54 3.23 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.543 2.162 . . . . 0.0 111.759 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.07 153.42 42.56 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.062 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.74 128.74 19.19 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.68 1.587 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -149.49 148.78 29.81 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -85.88 135.75 33.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.958 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 950' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' B' ' 950' ' ' TYR . 3.1 t80 -99.16 96.28 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.468 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 951' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.9 mt -124.96 126.0 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.939 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.79 81.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.225 0.536 . . . . 0.0 109.968 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 953' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.663 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.735 0.302 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.78 109.09 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.524 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.3 mt -96.94 -48.86 5.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.377 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.81 122.85 53.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.004 0.431 . . . . 0.0 109.936 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -146.67 126.14 13.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 0.9 OUTLIER -161.86 -166.81 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.49 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -109.24 156.37 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.418 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.05 140.56 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.62 132.09 10.97 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -86.09 -169.96 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.771 0.32 . . . . 0.0 110.548 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 24.9 mtp -126.84 144.63 50.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.4 t -82.26 121.87 27.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.167 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.37 109.39 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.051 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -146.55 128.74 15.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.65 60.03 1.25 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 49.57 62.34 2.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 109.973 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -145.96 125.71 13.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.149 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.43 107.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.806 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 168.81 15.64 Favored Pre-proline 0 N--CA 1.451 -0.38 0 O-C-N 123.82 0.7 . . . . 0.0 110.515 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.44 127.19 24.3 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.641 2.228 . . . . 0.0 112.071 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -82.03 108.48 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.421 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -56.52 -20.8 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -87.12 99.88 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.245 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -78.84 140.72 38.12 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.453 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.85 178.34 16.54 Favored Glycine 0 N--CA 1.46 0.266 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.2 129.99 52.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.814 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 14.9 p -98.72 118.07 44.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.593 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 1.4 t80 -126.82 122.63 35.28 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 48.7 mt -126.29 136.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.55 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -138.16 144.72 40.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.838 178.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -89.5 127.12 35.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.2 m -87.97 157.68 18.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.439 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 55' ' ' SER . 94.5 m-20 -59.37 -37.88 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.8 m-20 -61.63 -0.94 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 3.0 p 83.02 18.31 0.26 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -108.38 149.45 28.7 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.592 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.435 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.4 mp -100.6 129.13 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 0.0 110.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.6 117.92 30.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.557 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -98.61 113.68 25.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.441 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.7 m -121.71 125.37 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.527 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 81.2 t90 -125.07 113.76 18.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.103 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 156.47 23.6 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.062 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.2 m-20 -86.59 130.52 34.46 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -68.97 -38.57 79.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.8 m -63.33 -44.24 95.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.8 m -94.23 -29.13 15.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 72.16 16.03 76.81 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -108.98 157.17 18.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.703 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 m -81.8 130.15 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.57 -35.21 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.49 123.25 21.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.405 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.27 113.22 4.5 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.371 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.6 tp -154.99 148.9 25.68 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 110.395 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.95 139.1 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.8 mt -123.59 125.35 71.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -75.68 151.26 84.73 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 19.0 Cg_endo -59.24 132.89 49.3 Favored 'Trans proline' 0 C--N 1.3 -1.993 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.5 t70 79.7 -12.15 1.1 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -61.74 -46.24 90.49 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.893 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.34 124.12 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.634 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -107.72 149.54 28.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.502 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 82' ' ' PHE . 17.2 p90 -100.97 134.06 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -131.23 164.3 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -116.94 139.18 50.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.426 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 10.4 p -115.69 90.72 27.46 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.118 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.83 102.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.564 ' OE1' ' CZ ' ' B' ' 948' ' ' PHE . 15.3 mt-30 -102.58 -45.92 4.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.403 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -154.55 156.02 31.19 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.346 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 17.8 Cg_endo -59.27 -35.09 97.87 Favored 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 122.901 2.401 . . . . 0.0 112.479 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.555 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 88.1 p -105.27 6.2 32.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.729 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.616 ' N ' ' SG ' ' A' ' 88' ' ' CYS . . . -133.16 133.3 6.93 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -140.48 154.46 46.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 94' ' ' TYR . 49.9 t -137.34 154.94 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.428 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 96.1 m-85 -103.36 138.06 40.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.446 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.4 t -127.62 126.1 66.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.689 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.9 mt -106.68 138.66 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -125.6 131.43 52.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -89.82 111.66 22.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -26.01 67.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.7 67.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -145.01 -127.89 2.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 m -146.79 19.75 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -71.41 140.58 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.645 HH12 ' HH ' ' B' ' 950' ' ' TYR . 0.0 OUTLIER -123.99 130.42 52.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.366 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tt -119.39 118.73 31.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -110.64 126.08 54.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -154.85 171.78 19.07 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 3.4 p-90 -140.04 155.42 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.45 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.08 64.94 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 111.15 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -63.62 -4.93 3.33 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.207 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -60.07 147.58 80.05 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.436 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 -41.03 64.97 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.43 102.42 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.705 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -112.1 1.02 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.12 -15.91 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -117.98 15.55 14.23 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 47.3 p-10 -63.06 -32.28 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 88.8 tt0 -63.31 -47.35 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.8 -41.61 97.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.429 ' NE2' ' CE1' ' A' ' 26' ' ' PHE . 62.5 m80 -64.36 -44.19 92.18 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.62 -40.59 88.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -71.43 -40.48 70.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -69.04 -43.25 75.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -31.92 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 129' ' ' ASN . 26.4 t-20 -65.55 -44.03 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.254 0.55 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.87 -43.47 98.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.631 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.06 -40.83 97.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.4 mt -83.07 -14.94 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 125' ' ' ASN . 25.4 t-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo . . . . . 0 N--CA 1.49 1.281 0 CA-C-O 120.694 0.206 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -93.22 118.06 67.62 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.656 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.07 155.41 52.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.63 2.22 . . . . 0.0 112.451 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.98 -177.64 1.71 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.978 2.452 . . . . 0.0 112.052 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.75 152.4 44.74 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-O 121.049 0.452 . . . . 0.0 110.611 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.37 128.22 24.26 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 122.911 2.407 . . . . 0.0 112.258 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 948' ' ' PHE . . . . . 0.564 ' CZ ' ' OE1' ' A' ' 87' ' ' GLN . 33.5 p90 -148.62 149.74 32.04 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.913 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.92 119.95 28.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 950' ' ' TYR . . . . . 0.645 ' HH ' HH12 ' A' ' 104' ' ' ARG . 41.6 t80 -84.59 114.92 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 951' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 953' ' ' ASP . 8.3 tt -128.81 107.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 952' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 952' ' ' ASP . 53.9 p-10 -53.03 80.84 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 953' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 951' ' ' ILE . 38.1 p30 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.527 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.9 tttp . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.729 0.299 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -118.79 111.11 18.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.101 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -55.03 3.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.656 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -120.67 126.33 75.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.206 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 3.2 pp20? -154.66 138.53 16.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 61.0 m-85 -160.62 166.45 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 99.7 mtt180 -91.37 152.48 20.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.29 152.84 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.04 138.38 14.92 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' NZ ' ' CE1' ' A' ' 106' ' ' PHE . 37.8 tttm -89.94 163.82 14.81 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.491 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -105.12 142.19 35.34 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.155 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.9 m -76.99 129.95 36.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.08 109.88 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -143.46 126.52 16.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.22 65.41 0.6 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 p 44.67 63.25 1.75 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.132 0.492 . . . . 0.0 110.008 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 m -149.01 114.25 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.291 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.29 114.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.77 162.41 52.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.62 121.37 9.91 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.002 1.801 . . . . 0.0 112.157 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -96.84 145.94 25.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.67 -8.03 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.601 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.475 ' NE ' ' HG1' ' A' ' 65' ' ' THR . 1.4 mmt85 -73.21 109.35 6.68 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.377 0.608 . . . . 0.0 110.786 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -83.29 132.99 35.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.815 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.06 152.05 17.97 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -114.19 126.1 54.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -98.46 118.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.687 0.279 . . . . 0.0 111.065 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.13 121.77 36.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.239 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.409 HG23 HD11 ' A' ' 49' ' ' ILE . 52.7 mt -134.48 135.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.567 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.551 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 3.6 pp0? -144.8 138.82 27.37 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.639 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -107.75 128.73 54.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.694 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 164.56 12.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.485 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.28 -2.27 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.0 t0 -70.86 -12.32 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.577 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER 85.97 47.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.133 0.492 . . . . 0.0 110.053 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.99 155.49 6.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mt -115.39 137.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -97.2 123.07 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.767 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -105.72 118.14 35.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.729 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.514 ' SG ' ' OD1' ' A' ' 72' ' ' ASP . 55.9 m -124.96 132.02 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.557 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.491 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 37.3 t90 -124.82 110.46 14.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 109.884 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -112.79 137.89 50.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.068 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 67' ' ' GLY . 98.0 m-20 -83.28 124.58 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.401 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 78.8 mtp180 -70.28 -36.38 74.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.475 ' HG1' ' NE ' ' A' ' 43' ' ' ARG . 82.2 p -62.81 -38.12 89.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.781 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.461 ' HG ' ' H ' ' A' ' 68' ' ' ASN . 94.8 p -103.7 -23.69 13.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.601 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 69.31 15.94 70.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.461 ' H ' ' HG ' ' A' ' 66' ' ' SER . 4.7 m-20 -110.84 142.77 42.43 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -67.9 131.91 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.95 -40.52 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -137.94 125.93 22.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.54 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.514 ' OD1' ' SG ' ' A' ' 60' ' ' CYS . 16.1 t70 -150.92 108.28 3.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 tp -154.99 150.11 26.99 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 110.025 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.2 mt -72.43 144.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.77 122.23 67.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.403 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -98.19 150.27 36.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.519 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.43 ' O ' ' OD1' ' A' ' 79' ' ' ASP . 76.3 Cg_exo -48.75 145.55 12.74 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.057 1.838 . . . . 0.0 111.944 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 77.72 -16.93 0.61 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.774 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 77' ' ' PRO . 1.8 m-20 -100.07 81.81 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.441 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 171.05 82.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.267 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -99.53 129.49 45.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.065 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -110.22 147.35 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.38 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.75 144.13 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.92 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.3 ptt85 -119.63 138.14 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.21 90.35 23.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.452 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.13 84.01 1.81 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.628 2.218 . . . . 0.0 112.281 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -90.13 -40.65 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.54 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.5 p -162.08 147.08 9.99 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.33 -13.05 38.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.659 2.24 . . . . 0.0 112.168 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -60.51 -40.36 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.39 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.62 149.22 20.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.68 145.21 51.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.02 148.09 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.527 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.62 142.72 46.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -118.13 126.64 75.1 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -109.33 129.6 55.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.2 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -115.34 111.22 20.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 109.973 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.547 ' O ' ' N ' ' A' ' 102' ' ' SER . 94.2 m-85 -91.98 117.17 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -70.89 -25.23 62.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.34 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.54 -2.26 8.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 98' ' ' PHE . 50.9 m 48.07 53.83 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.269 . . . . 0.0 110.464 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -128.43 150.84 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.593 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -110.44 119.37 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.635 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tp -103.82 127.35 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.501 ' CE1' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -110.49 115.48 29.71 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.721 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -154.69 164.48 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 110' ' ' GLN . 6.0 p-90 -142.14 160.55 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.97 63.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.489 0.661 . . . . 0.0 110.463 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 108' ' ' TRP . 21.7 tm0? -62.86 -17.22 61.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.757 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.18 132.92 75.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.085 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.68 -16.28 51.89 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 122.26 1.973 . . . . 0.0 113.123 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -90.0 97.16 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.11 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.6 p -118.16 33.91 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.914 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.56 -15.79 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.255 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.74 26.0 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.166 0.508 . . . . 0.0 110.416 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.83 -40.44 92.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.364 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.28 -44.56 91.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.818 0.342 . . . . 0.0 110.634 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -68.91 -42.34 77.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.688 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -66.11 -42.54 89.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.94 -48.54 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -66.86 -40.66 87.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.502 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -64.85 -43.65 92.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.684 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 66.8 t -65.63 -45.22 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.682 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.425 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.61 -42.03 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -69.16 -36.33 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.962 0.41 . . . . 0.0 110.632 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.31 -43.45 64.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.444 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.233 0.23 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.434 -178.692 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 942' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' B' ' 943' ' ' GLU . 60.1 Cg_endo . . . . . 0 N--CA 1.498 1.779 0 CA-C-O 119.543 -0.274 . . . . 0.0 111.721 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 943' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 942' ' ' PRO . 9.2 mm-40 6.18 73.09 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.743 0 O-C-N 124.117 0.886 . . . . 0.0 111.283 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.88 142.27 98.25 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.159 1.906 . . . . 0.0 112.597 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.87 -177.18 2.41 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.528 2.152 . . . . 0.0 111.36 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -128.12 150.38 73.69 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.514 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.08 128.71 30.1 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.909 1.739 . . . . 0.0 112.716 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 948' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 24.9 p90 -152.24 144.84 24.2 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.16 132.7 34.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 0.0 111.114 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -97.47 111.14 23.53 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.344 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 951' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 953' ' ' ASP . 21.4 tt -132.38 122.57 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.614 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -56.26 81.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.43 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 953' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.5 m-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.637 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.863 0.363 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.18 122.6 26.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.352 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.49 -62.69 1.24 Allowed 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -125.55 122.5 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.258 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 21.8 pt-20 -149.8 129.18 12.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 69.7 m-85 -154.79 167.92 28.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 2.4 mpt_? -86.34 156.26 20.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.67 144.63 20.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 110.583 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.16 145.64 16.31 Favored Glycine 0 N--CA 1.466 0.676 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -92.94 -174.67 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.593 0.235 . . . . 0.0 110.534 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.5 mtp -127.5 141.97 51.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.529 ' OG ' ' CE ' ' A' ' 34' ' ' LYS . 8.8 t -78.14 125.06 28.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.2 118.44 36.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.25 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.529 ' CE ' ' OG ' ' A' ' 32' ' ' SER . 8.1 ptpt -156.4 134.23 11.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.56 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 36.35 57.55 1.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 48.85 62.4 2.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.234 0.54 . . . . 0.0 109.844 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 m -146.88 121.53 9.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.238 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 t -113.26 116.93 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.719 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.87 172.14 6.83 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.615 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.88 127.91 28.07 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.587 2.191 . . . . 0.0 112.246 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -96.3 116.59 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -52.83 -23.88 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.37 129.15 37.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -110.57 143.81 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.45 175.53 17.8 Favored Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 tt -126.47 125.78 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.717 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.34 121.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.49 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -127.99 123.64 35.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.405 HD11 HG22 ' A' ' 49' ' ' ILE . 76.6 mt -127.91 138.69 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.129 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 3.4 pp0? -150.25 149.27 29.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -95.15 131.92 40.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -153.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -99.9 -16.18 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -98.37 15.27 25.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.606 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.23 23.41 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.291 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 mp -100.1 133.18 44.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.651 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.483 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.5 mp -94.98 127.27 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.455 ' NE2' ' OD1' ' A' ' 72' ' ' ASP . 7.1 t-160 -98.71 120.97 40.04 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.228 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -101.03 112.46 24.92 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t -121.39 130.59 53.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -124.04 112.2 16.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -103.3 160.03 15.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.789 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' GLY . 97.7 m-20 -99.09 124.05 43.82 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -70.67 -29.22 65.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.929 0.395 . . . . 0.0 110.421 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.4 p -76.83 -30.04 56.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -106.82 -35.94 6.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 80.98 11.89 83.26 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -111.63 153.45 26.34 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.7 m -73.27 122.22 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.56 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -98.18 -39.73 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -139.32 128.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 14.6 t70 -152.07 112.16 4.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.35 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -147.57 144.73 28.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 120.879 0.371 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.99 141.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.47 124.69 73.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 78' ' ' ASP . 55.3 m-85 -89.53 141.7 28.92 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.971 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 51.4 Cg_exo -45.59 74.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.986 2.457 . . . . 0.0 112.601 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER 157.45 -35.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.815 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 63.5 t0 -82.15 84.19 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER 162.26 102.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.719 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -106.17 127.76 53.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -110.52 140.3 44.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.381 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -138.7 162.36 34.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -117.99 140.51 49.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.34 90.39 24.62 Favored Pre-proline 0 C--O 1.234 0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.226 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -50.63 103.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.609 2.206 . . . . 0.0 112.113 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.73 -41.41 3.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.678 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 91' ' ' GLY . 53.8 t -135.06 129.34 18.96 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -48.38 -34.51 25.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.575 2.184 . . . . 0.0 112.093 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -102.94 -2.44 27.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -138.81 129.42 4.47 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -131.63 135.11 46.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.328 . . . . 0.0 110.527 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.4 t -96.3 143.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -107.18 141.28 38.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.439 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.2 138.45 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.666 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 mt -112.05 130.24 55.94 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -114.53 117.21 30.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -89.93 117.34 28.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.151 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.04 -22.33 66.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.71 -30.15 56.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 103' ' ' LYS . . . -119.56 -1.62 13.53 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.609 ' N ' ' O ' ' A' ' 98' ' ' PHE . 16.9 m 48.45 13.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.701 0.286 . . . . 0.0 110.362 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' A' ' 101' ' ' GLY . 6.8 pttt -81.78 158.66 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.32 111.91 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.324 0.39 . . . . 0.0 110.346 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.1 tp -94.1 130.29 40.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -110.24 127.97 55.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -154.65 164.03 39.35 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.401 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.546 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 3.7 p-90 -133.77 153.43 51.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 mmm -69.28 63.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -9.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.248 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.38 144.8 91.58 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.99 -20.98 50.35 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.853 2.368 . . . . 0.0 112.332 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -92.32 74.53 5.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 t -96.5 0.55 50.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.94 -24.66 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -114.47 26.57 10.12 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.13 -40.84 86.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -70.5 -46.06 64.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.53 -39.97 88.89 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.842 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.9 -48.24 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -63.62 -45.18 91.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -64.33 -44.93 90.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -63.15 -43.43 98.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.415 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.97 -42.88 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.011 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -66.64 -37.8 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.967 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.59 -46.63 89.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.566 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -66.16 -43.42 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.19 -40.34 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.53 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 N--CA 1.491 1.368 0 CA-C-O 120.566 0.153 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 943' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 943' ' ' GLU . 39.2 mp0 -116.58 94.37 43.15 Favored Pre-proline 0 C--O 1.233 0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.88 150.23 30.86 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.736 2.29 . . . . 0.0 112.294 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.38 -178.57 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.986 2.457 . . . . 0.0 112.124 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -114.5 149.14 41.71 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.681 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.63 129.36 23.39 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.505 2.137 . . . . 0.0 112.266 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.95 146.82 26.52 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.06 130.19 34.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -96.21 107.9 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.361 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 951' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.9 tt -132.53 120.11 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.24 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -48.45 81.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.139 0.495 . . . . 0.0 110.974 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 953' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.8 p-10 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.483 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.803 0.335 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.64 118.03 33.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -104.11 -50.02 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.313 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -133.42 127.53 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.992 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 26.0 pt-20 -162.91 140.43 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER 178.95 173.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' N ' ' CD ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -80.54 160.39 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.476 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.72 158.42 35.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.288 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.59 126.73 7.39 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -93.9 -167.48 1.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.728 0.299 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 80.4 mtp -134.2 143.57 47.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.179 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' THR . 49.7 m -76.5 140.51 41.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.6 tp -124.28 109.19 13.06 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' GLY . 38.2 mtmt -132.29 129.04 39.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.989 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 32.17 64.49 0.24 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.4 64.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.202 0.525 . . . . 0.0 109.65 -177.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 34' ' ' LYS . 5.0 m -151.31 105.46 3.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.641 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -97.93 117.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.676 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -139.38 167.63 18.16 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 179.732 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.01 131.25 43.55 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.823 1.682 . . . . 0.0 112.739 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -92.67 114.9 27.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.301 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.67 -20.0 64.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -88.77 121.74 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.423 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -85.34 150.66 24.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.415 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -120.97 171.38 14.8 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tp -116.32 116.83 28.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.36 118.73 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.42 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 25' ' ' GLU . 2.5 m-85 -125.56 122.48 36.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.341 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.422 HG21 HD12 ' A' ' 49' ' ' ILE . 57.9 mt -130.78 132.5 64.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.06 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 3.9 pp0? -142.24 149.26 39.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.463 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -105.7 131.26 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -105.41 153.98 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.98 -10.92 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.427 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -73.88 1.36 10.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.633 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 71.82 48.92 0.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 pp -160.92 142.59 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.03 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -98.69 134.12 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.606 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -98.29 123.09 42.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.882 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -104.56 118.18 35.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.299 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -122.33 127.82 50.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -118.69 110.3 17.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.703 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -109.75 154.33 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.36 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' SER . 3.8 m-20 -88.94 89.77 8.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -38.97 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 63' ' ' ASP . 100.0 m -61.02 -44.79 96.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.124 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ASP . 92.2 p -108.82 -16.03 14.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.54 13.76 74.55 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -98.46 156.45 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 111.204 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.3 m -80.05 125.5 38.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -106.03 -34.66 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -151.36 132.3 14.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 42.0 p-10 -151.12 122.62 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -149.08 141.03 23.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.925 0.393 . . . . 0.0 110.065 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -74.87 137.73 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.627 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -120.61 122.74 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.942 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.38 167.39 11.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.549 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.498 ' C ' ' H ' ' A' ' 79' ' ' ASP . 44.9 Cg_exo -57.76 144.22 93.79 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.174 1.916 . . . . 0.0 112.07 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 1.3 t0 75.6 -25.68 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.498 ' H ' ' C ' ' A' ' 77' ' ' PRO . 63.1 t0 -89.09 69.6 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.517 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.92 105.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.43 117.23 30.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 54.2 p90 -102.93 121.56 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.197 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -156.37 162.85 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -117.73 147.38 43.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.269 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 11.8 p -107.71 107.38 60.25 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.85 125.84 9.02 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.878 1.718 . . . . 0.0 112.455 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.539 ' OE1' ' CD2' ' B' ' 948' ' ' PHE . 57.0 mt-30 -112.08 -31.74 6.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -150.45 168.68 10.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.484 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.88 -41.53 62.66 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 122.337 2.025 . . . . 0.0 112.553 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.503 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 90.3 p -107.58 172.93 6.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.9 152.25 28.64 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -130.24 132.81 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.47 140.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.524 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -117.35 139.44 50.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 83' ' ' LYS . 57.7 t -124.49 124.59 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.0 130.44 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.726 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -110.57 113.14 25.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.519 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' A' ' 102' ' ' SER . 96.6 m-85 -88.64 107.75 19.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.73 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -66.25 -21.68 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.59 13.28 2.0 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 98' ' ' PHE . 62.4 m 48.31 45.89 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -97.37 141.81 30.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.567 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -114.5 126.06 54.51 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.216 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -123.39 140.4 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -120.53 122.82 41.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -154.27 163.89 39.43 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.241 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 4.1 p-90 -143.23 156.68 44.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.019 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.588 ' C ' ' H ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -67.91 64.11 0.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.883 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.47 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 40.5 tt0 -64.34 8.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.957 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.588 ' H ' ' C ' ' A' ' 109' ' ' MET . 88.1 tt0 -102.97 103.51 34.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.193 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.01 -20.5 16.77 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.046 1.831 . . . . 0.0 112.631 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -62.1 -23.84 66.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.227 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . 0.621 ' C ' ' H ' ' A' ' 116' ' ' GLN . 98.1 m -59.62 -42.11 91.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.818 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.1 t0 51.49 0.71 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.281 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.621 ' H ' ' C ' ' A' ' 114' ' ' THR . 73.6 mt-30 -133.2 30.95 3.87 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.824 0.345 . . . . 0.0 110.421 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 117' ' ' ASP . 63.6 t0 -55.12 -38.88 68.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -62.52 -45.73 91.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 0.0 110.58 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 60.5 mp0 -73.1 -33.68 65.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.442 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -60.58 -46.15 91.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.739 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' CYS . . . . . 0.411 ' O ' ' OD1' ' A' ' 125' ' ' ASN . 48.6 t -63.12 -45.81 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.954 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -61.76 -40.6 95.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.262 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -67.61 -43.77 79.64 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.002 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.18 -40.68 89.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.959 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 121' ' ' CYS . 28.3 m120 -62.34 -42.04 99.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.704 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -34.51 75.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -65.67 -48.54 71.76 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.93 -37.29 81.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.711 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 -179.417 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.488 1.148 0 N-CA-C 111.737 -0.14 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 943' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' B' ' 944' ' ' PRO . 0.2 OUTLIER -131.51 145.3 57.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.35 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 944' ' ' PRO . . . . . 0.468 ' O ' ' OE1' ' B' ' 943' ' ' GLU . 55.2 Cg_endo -71.31 146.8 51.69 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.956 1.771 . . . . 0.0 112.951 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.27 -177.19 2.54 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.564 2.176 . . . . 0.0 111.914 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -118.46 148.62 44.41 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.315 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.0 129.07 23.77 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.861 1.707 . . . . 0.0 112.727 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 948' ' ' PHE . . . . . 0.539 ' CD2' ' OE1' ' A' ' 87' ' ' GLN . 29.3 p90 -153.36 143.6 22.32 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -87.45 132.15 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.76 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -95.02 108.97 21.05 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.468 0.651 . . . . 0.0 109.941 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 951' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.5 tt -128.95 126.27 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.714 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 952' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 952' ' ' ASP . 6.4 t70 -55.17 81.06 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 953' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 951' ' ' ILE . 45.7 p-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.794 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -155.66 95.69 1.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.421 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -129.04 129.23 45.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.64 -63.62 1.26 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.4 t -123.87 124.52 69.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.952 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -151.83 129.07 11.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.441 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.83 144.55 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.532 ' HE ' ' NH2' ' A' ' 64' ' ' ARG . 81.7 mtt85 -73.58 148.34 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.202 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.45 149.64 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.08 128.27 9.42 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 63.2 tttm -87.23 156.57 19.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.643 0.259 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.97 138.6 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.533 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' THR . 39.1 t -78.01 112.3 14.78 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.1 tp -117.63 122.18 42.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.426 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.15 133.53 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.896 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.61 -108.23 0.16 Allowed Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -123.32 66.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.135 0.493 . . . . 0.0 110.217 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.51 129.9 2.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.345 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' HA ' ' B' ' 947' ' ' PRO . 9.9 p -126.82 144.96 35.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.85 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -164.23 161.08 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 122.461 -0.149 . . . . 0.0 110.732 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.11 125.88 19.88 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 121.851 1.701 . . . . 0.0 110.774 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.96 137.48 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 0.0 110.607 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -21.12 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.778 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.526 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 31.9 ttp-105 -92.33 98.49 11.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.18 0.514 . . . . 0.0 110.331 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -74.54 153.32 39.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.119 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 179.06 16.93 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 tt -129.33 129.9 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.708 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.36 122.42 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -128.13 124.95 38.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.602 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.8 mt -129.81 136.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.661 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 3.1 pp0? -147.33 149.68 33.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.534 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -92.27 135.92 33.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.466 . . . . 0.0 111.327 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 p -84.74 -169.87 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -89.89 1.37 56.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -106.72 12.15 29.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.377 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t 71.53 28.56 2.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.84 148.29 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.632 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -100.12 133.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.433 . . . . 0.0 110.38 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -105.08 118.25 36.06 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.643 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -94.9 120.65 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.401 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.4 136.73 52.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.212 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -123.04 109.91 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.147 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.96 167.93 10.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 67' ' ' GLY . 24.8 t0 -101.74 128.43 48.07 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.532 ' NH2' ' HE ' ' A' ' 27' ' ' ARG . 14.9 mmm180 -64.46 -35.53 81.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -84.18 -31.57 25.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.809 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -40.62 7.41 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.009 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 81.81 6.77 88.74 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.381 -1.087 . . . . 0.0 110.381 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -99.95 151.38 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.797 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 m -73.56 101.1 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.151 0.5 . . . . 0.0 110.494 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.43 -40.3 57.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.479 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -142.97 134.33 26.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.979 0.418 . . . . 0.0 111.048 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 50.9 p-10 -151.4 134.42 15.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -160.61 142.96 12.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.922 0.391 . . . . 0.0 110.187 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.0 mt -75.8 131.03 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.632 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 92.6 mt -122.87 127.19 74.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -94.89 133.24 26.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.954 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.32 88.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.822 1.681 . . . . 0.0 112.624 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER 168.95 -42.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.826 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.416 ' C ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -94.56 100.12 12.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 170.15 77.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.529 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -91.85 120.26 32.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -111.63 143.48 42.45 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.867 0.365 . . . . 0.0 110.705 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -134.8 161.62 34.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.233 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -111.68 129.57 56.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.929 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.93 93.79 31.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.78 84.46 1.98 Allowed 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.758 1.639 . . . . 0.0 112.489 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' B' ' 946' ' ' GLU . 15.2 pt20 -69.23 -43.53 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 91' ' ' GLY . 45.2 t -152.81 132.42 7.11 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.323 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.42 -39.95 17.08 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.4 1.4 . . . . 0.0 111.551 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.6 t -61.99 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -130.51 138.89 10.51 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 121.123 -0.561 . . . . 0.0 111.746 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -142.81 160.22 40.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.0 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.422 ' CG2' ' N ' ' A' ' 94' ' ' TYR . 15.0 p -143.78 165.44 14.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.796 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.422 ' N ' ' CG2' ' A' ' 93' ' ' VAL . 89.0 m-85 -115.52 151.82 34.14 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.768 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.52 133.82 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.324 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 60.8 tp -110.61 123.69 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.958 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -110.77 120.71 43.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.4 m-85 -85.22 126.9 34.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.714 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.33 -24.85 63.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.28 -26.18 18.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' ' 103' ' ' LYS . . . -102.85 -19.12 13.62 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 98' ' ' PHE . 15.8 p 59.47 -0.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.988 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER -81.63 162.31 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.449 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.611 HH11 ' HH ' ' B' ' 950' ' ' TYR . 0.0 OUTLIER -120.08 127.03 52.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.214 179.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.1 tp -113.51 130.25 56.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.831 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -109.91 125.82 53.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -156.25 168.4 27.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.277 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.546 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 5.2 p-90 -147.52 156.63 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.455 ' SD ' ' SG ' ' A' ' 121' ' ' CYS . 2.1 mtp -69.08 62.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.14 -9.14 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.17 130.14 89.07 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.976 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.61 -27.74 8.19 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.875 1.717 . . . . 0.0 113.087 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.0 mmtm -71.75 50.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.187 0.518 . . . . 0.0 110.455 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.1 m -65.34 -37.37 86.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -56.17 -17.45 7.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.271 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -119.15 22.09 12.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 40.6 p-10 -59.81 -42.63 93.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.019 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 24.4 pt-20 -71.33 -36.0 71.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 110.627 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.46 -42.2 87.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -67.45 -42.13 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.319 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.455 ' SG ' ' SD ' ' A' ' 109' ' ' MET . 93.3 m -65.49 -42.39 92.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.353 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.47 -40.79 96.36 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.256 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.91 67.55 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.243 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.51 -41.06 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.702 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -43.5 98.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.802 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 130' ' ' ASN . 95.3 mt-10 -65.44 -42.41 92.45 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.754 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.96 -41.1 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.896 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.73 -40.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.607 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.431 ' O ' ' OXT' ' A' ' 130' ' ' ASN . 63.6 t30 -100.16 13.35 34.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 126' ' ' GLU . 3.4 t-20 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.648 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 48.93 70.9 1.8 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.623 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.51 179.2 0.51 Allowed 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.951 2.434 . . . . 0.0 111.652 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.3 108.65 51.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.16 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.11 161.09 32.84 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.962 1.774 . . . . 0.0 113.216 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.58 -174.4 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 123.236 2.624 . . . . 0.0 111.488 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 946' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 87' ' ' GLN . 99.5 mt-10 -128.01 148.61 68.11 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 947' ' ' PRO . . . . . 0.464 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.4 Cg_endo -67.03 134.11 33.19 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 121.362 1.374 . . . . 0.0 114.108 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 948' ' ' PHE . . . . . 0.449 ' H ' HG13 ' A' ' 38' ' ' VAL . 38.5 p90 -154.5 166.7 32.47 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.048 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' B' ' 949' ' ' GLU . 59.1 mp0 -94.01 120.59 34.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.128 0.49 . . . . 0.0 109.723 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 950' ' ' TYR . . . . . 0.611 ' HH ' HH11 ' A' ' 104' ' ' ARG . 25.4 t80 -92.88 115.1 27.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.793 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 951' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 953' ' ' ASP . 17.8 tt -134.23 115.68 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.774 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 952' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' B' ' 952' ' ' ASP . 54.3 p-10 -60.92 80.82 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.256 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 953' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 951' ' ' ILE . 68.3 t0 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -64.1 -38.7 92.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.184 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -118.94 70.23 0.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.9 -49.01 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 110.3 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -142.41 141.02 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.573 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -151.0 123.92 8.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CE2' ' CE1' ' A' ' 120' ' ' HIS . 66.3 m-85 -138.31 148.74 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.168 0.509 . . . . 0.0 111.39 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.579 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 84.6 mtp180 -82.65 147.37 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.349 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.527 ' HA ' HE22 ' A' ' 110' ' ' GLN . . . -160.81 150.85 17.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.138 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.719 ' N ' ' NE2' ' A' ' 110' ' ' GLN . . . -110.16 142.47 16.55 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 30.1 tttt -83.86 -163.24 0.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 0.0 110.189 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -138.43 142.51 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.584 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -78.23 129.96 35.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.189 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 121.73 41.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.095 0.474 . . . . 0.0 111.121 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -155.37 135.02 12.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.013 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.67 55.35 2.7 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 48.42 64.68 1.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.636 0.731 . . . . 0.0 109.519 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -153.4 114.85 4.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.537 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.79 114.29 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.08 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.494 ' O ' ' SD ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -131.57 175.87 3.35 Favored Pre-proline 0 N--CA 1.451 -0.381 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 179.24 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.36 134.5 52.19 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.185 1.923 . . . . 0.0 112.558 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 30' ' ' LYS . 34.4 p-10 -92.25 138.25 31.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.759 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -80.59 -7.91 59.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.544 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.3 ttm105 -97.5 120.54 38.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.399 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -87.15 143.05 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.934 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.63 175.15 19.15 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' CD1' ' HH ' ' A' ' 48' ' ' TYR . 3.3 tt -131.2 141.48 50.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.956 0.408 . . . . 0.0 110.801 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 82.3 t -106.83 122.36 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.983 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.486 ' HH ' ' CD1' ' A' ' 46' ' ' LEU . 49.8 m-85 -116.68 130.93 57.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.788 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mm -124.16 127.06 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.554 HE22 ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -135.7 137.89 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.302 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -99.85 128.97 45.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.476 ' OG1' ' NE2' ' A' ' 58' ' ' HIS . 6.2 m -93.83 156.16 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.583 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.2 -26.18 68.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 55' ' ' SER . 56.2 m-20 -68.95 -2.96 11.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER 82.42 26.27 0.16 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.103 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mp -119.24 142.87 47.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 tp -100.13 147.84 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.19 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.554 ' CD2' HE22 ' A' ' 50' ' ' GLN . 4.7 m-70 -114.33 124.68 52.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -109.18 112.55 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.47 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.0 t -120.67 130.5 54.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -108.93 112.4 24.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.168 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -106.94 139.05 41.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.372 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 67' ' ' GLY . 59.3 t0 -82.03 118.43 22.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.474 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.579 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 32.5 mtp180 -68.26 -37.82 81.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.517 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.2 m -60.87 -45.36 94.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.7 m -94.22 -25.15 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.101 0.476 . . . . 0.0 110.42 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 73.33 14.01 79.5 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -114.82 154.58 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.693 0.282 . . . . 0.0 111.153 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.0 m -65.65 123.27 18.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.9 -44.56 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.735 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -159.89 150.28 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -152.01 148.42 27.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.236 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.73 142.55 12.35 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.026 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -83.12 136.19 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.696 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.8 mt -119.69 129.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.546 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.74 153.64 61.07 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.918 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 79' ' ' ASP . 69.2 Cg_exo -51.4 142.84 36.84 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.522 1.481 . . . . 0.0 112.06 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 69.04 -12.85 0.38 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.218 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 77' ' ' PRO . 8.0 t70 -89.62 77.56 7.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.038 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.77 101.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.392 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -102.44 132.76 48.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -104.77 137.64 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.262 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.92 147.76 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -119.05 135.05 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.406 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.472 ' O ' ' NE2' ' A' ' 87' ' ' GLN . 28.2 m -116.17 90.95 30.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.795 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.92 112.6 1.02 Allowed 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.191 1.927 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.614 HE22 ' CG2' ' A' ' 93' ' ' VAL . 2.2 mt-30 -113.63 -37.17 4.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.499 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.85 157.93 46.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.781 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -29.88 31.97 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.612 2.208 . . . . 0.0 112.292 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.5 m -105.41 -3.7 22.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.83 148.37 18.8 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -141.1 130.68 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.724 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.614 ' CG2' HE22 ' A' ' 87' ' ' GLN . 84.3 t -131.31 133.39 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.657 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -109.24 130.36 55.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.248 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.42 122.38 68.0 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.67 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 53.9 mt -106.98 129.81 54.72 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.384 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -116.93 132.07 56.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.358 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -86.87 112.0 21.33 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -61.52 -33.12 73.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.0 69.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.322 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.93 -129.26 3.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.508 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 52.6 p -156.97 25.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.607 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -86.26 140.29 30.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 102' ' ' SER . 4.5 mpt_? -122.49 129.53 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.291 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 tt -110.44 132.25 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.942 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 31.1 m-85 -112.17 120.29 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -151.72 164.7 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.583 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.536 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 3.0 p-90 -143.65 155.37 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.304 0.574 . . . . 0.0 110.624 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.539 ' C ' ' H ' ' A' ' 111' ' ' GLU . 22.0 mmm -80.54 63.16 4.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.096 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.719 ' NE2' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -65.28 2.9 0.73 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.081 0.467 . . . . 0.0 110.271 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 109' ' ' MET . 21.4 pt-20 -61.1 150.36 79.09 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.821 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.76 -29.38 80.41 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.934 1.756 . . . . 0.0 112.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -63.42 -71.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 111.284 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.0 m 44.06 27.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -112.66 -7.4 13.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -137.19 25.97 2.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.111 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.65 -41.12 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.081 -178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.98 -40.73 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.42 -39.86 74.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.512 ' CE1' ' CE2' ' A' ' 26' ' ' PHE . 48.1 m170 -63.59 -43.48 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.084 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -62.03 -43.52 98.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.755 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -37.7 84.35 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.148 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.71 -43.41 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 129' ' ' ASN . 98.9 m-20 -65.34 -37.69 87.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.135 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 130' ' ' ASN . 64.1 mm-40 -59.29 -43.12 92.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.061 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -71.22 -34.3 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.8 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.07 -23.95 35.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.617 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 130' ' ' ASN . 58.5 t-20 -102.8 -45.55 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.31 . . . . 0.0 111.158 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.558 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 941' ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' B' ' 942' ' ' PRO . 4.3 mt-10 -51.78 -55.05 33.5 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.895 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 942' ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' B' ' 941' ' ' GLU . 61.4 Cg_endo -72.61 161.21 44.65 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.872 1.714 . . . . 0.0 111.694 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -114.1 94.69 35.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.37 142.83 46.16 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.403 2.069 . . . . 0.0 112.872 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.52 -178.11 2.1 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.501 2.134 . . . . 0.0 111.914 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -110.53 149.71 40.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -60.55 130.8 35.0 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.063 1.842 . . . . 0.0 112.809 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 948' ' ' PHE . . . . . 0.527 ' CE2' ' OE1' ' A' ' 87' ' ' GLN . 45.4 p90 -146.48 153.18 40.12 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.708 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -86.98 126.22 34.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.142 0.496 . . . . 0.0 110.814 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -97.77 97.3 8.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.835 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 951' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 953' ' ' ASP . 3.9 mm -118.78 122.32 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.102 -0.953 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.98 80.12 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.882 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 953' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.1 p-10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.455 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.401 ' C ' ' H ' ' A' ' 22' ' ' TYR . 80.2 m-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 pttm -64.05 -3.09 2.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.828 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -127.94 123.03 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 tp -99.7 -49.88 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.689 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 81.9 t -137.2 129.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.596 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -156.49 133.55 10.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.482 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.605 ' CZ ' ' CE1' ' A' ' 120' ' ' HIS . 79.2 m-85 -154.94 155.71 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -72.32 148.64 45.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.36 135.41 10.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.4 . . . . 0.0 110.649 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -88.79 151.82 22.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -96.98 166.52 11.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.657 0.265 . . . . 0.0 110.296 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.4 mtp -124.86 144.48 50.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.347 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.659 ' HG ' ' NZ ' ' A' ' 34' ' ' LYS . 34.7 t -76.96 151.38 35.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.88 107.85 8.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.84 0.352 . . . . 0.0 110.63 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.659 ' NZ ' ' HG ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -134.38 127.48 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 34.2 63.68 0.42 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p 50.24 63.75 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 109.994 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -149.51 113.39 5.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.554 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 36.2 t -103.38 115.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.417 -178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.77 156.95 70.7 Favored Pre-proline 0 N--CA 1.446 -0.672 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.612 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -49.04 127.74 17.9 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.755 1.637 . . . . 0.0 112.966 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 63.6 t0 -99.01 133.27 43.51 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 26.5 pttm -59.22 -14.85 12.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.388 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -82.32 129.9 34.97 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.878 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -116.8 142.33 47.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.394 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.87 -174.48 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -130.14 138.77 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 111.132 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.3 t -93.17 122.89 45.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.73 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 120.63 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.0 mt -131.07 129.8 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.848 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.537 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -148.86 140.75 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.022 179.124 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -90.72 126.98 36.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 110.788 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 174.02 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -74.42 -2.85 27.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.709 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.52 12.99 36.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.508 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m 67.15 32.5 6.1 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.9 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -117.5 143.83 45.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.855 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.69 120.14 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.169 0.509 . . . . 0.0 110.583 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -88.25 114.47 24.9 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.59 118.12 35.77 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.138 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.2 m -130.99 133.24 45.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -112.17 110.97 21.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.096 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -104.7 135.37 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.133 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 67' ' ' GLY . 45.1 m-20 -77.51 121.9 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.724 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -71.53 -40.72 69.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -38.74 91.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.938 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -99.04 -27.39 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 74.21 12.93 81.63 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -110.85 148.34 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 111.149 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.45 139.07 21.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -115.89 -41.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -142.11 135.29 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.797 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 47.0 p-10 -151.23 104.9 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -144.75 142.66 30.19 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.764 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 tp -74.61 140.55 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.94 132.02 72.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.259 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 25.0 m-85 -87.93 150.72 48.4 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.6 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.496 ' C ' ' H ' ' A' ' 79' ' ' ASP . 50.3 Cg_exo -54.15 142.21 67.34 Favored 'Trans proline' 0 N--CA 1.498 1.735 0 C-N-CA 121.814 1.676 . . . . 0.0 112.178 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 72.48 -17.92 0.36 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.163 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 77' ' ' PRO . 36.3 t0 -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.554 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.7 t -114.67 120.61 40.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.795 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -106.42 137.72 43.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -104.78 143.52 33.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.473 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -135.25 153.74 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.936 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -112.04 126.49 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.284 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' A' ' 85' ' ' VAL . 33.5 m -115.3 91.19 27.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.08 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.36 119.52 4.2 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 122.419 2.079 . . . . 0.0 111.849 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.33 -36.63 7.54 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 90' ' ' SER . 11.3 p -136.75 151.6 72.82 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.05 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.19 -38.42 41.06 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 122.136 1.891 . . . . 0.0 112.512 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.508 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 40.7 t -103.01 127.88 50.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.67 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 123.51 149.89 7.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.498 ' NH2' ' OD2' ' A' ' 117' ' ' ASP . 86.6 mtm180 -132.89 132.52 42.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.503 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.53 148.91 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -140.87 159.64 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.317 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.0 p -135.97 142.58 38.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.361 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -104.54 142.3 34.87 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.387 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.33 116.48 25.62 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.075 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.548 ' O ' ' N ' ' A' ' 102' ' ' SER . 41.1 m-85 -89.9 109.54 20.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.36 -10.95 59.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.801 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -93.79 -15.0 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.131 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.99 4.5 2.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 98' ' ' PHE . 25.8 m 49.3 32.32 4.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.831 0.348 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.4 ttmt -90.22 141.31 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -120.67 119.41 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.705 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 89.4 mt -114.63 139.21 49.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.452 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -116.54 126.22 53.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.621 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -142.21 161.82 37.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.514 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 3.8 p-90 -144.38 155.91 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.531 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.9 mmm -77.11 62.76 2.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.947 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -8.31 7.43 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.028 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.31 148.91 78.27 Favored Pre-proline 0 N--CA 1.445 -0.683 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.405 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.09 -43.78 46.26 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 121.976 1.784 . . . . 0.0 112.999 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.41 ' NZ ' ' OD2' ' A' ' 115' ' ' ASP . 3.8 ptmt 177.84 -172.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.545 ' C ' ' H ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -169.48 -18.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 179.697 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.41 ' OD2' ' NZ ' ' A' ' 113' ' ' LYS . 34.9 m-20 61.29 -2.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.545 ' H ' ' C ' ' A' ' 114' ' ' THR . 95.7 mt-30 -136.41 27.34 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.313 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.498 ' OD2' ' NH2' ' A' ' 92' ' ' ARG . 65.9 t0 -59.13 -43.79 92.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.36 -46.16 87.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.96 -40.45 91.29 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.605 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 50.4 m170 -65.21 -46.72 79.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.79 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.61 -48.08 78.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -63.46 -45.01 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.755 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -41.92 94.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 120' ' ' HIS . 54.2 t -63.7 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.452 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.4 -42.4 98.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.861 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 130' ' ' ASN . 76.4 mm-40 -66.46 -41.74 88.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -61.43 -44.25 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.4 tp -74.79 -24.17 58.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.58 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -101.48 5.16 41.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' GLU . 63.1 t30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.674 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 941' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' B' ' 941' ' ' GLU . 47.3 mp0 -130.45 150.45 76.28 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 942' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' B' ' 941' ' ' GLU . 53.9 Cg_exo -47.57 -175.67 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.263 1.975 . . . . 0.0 111.926 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 943' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' B' ' 943' ' ' GLU . 56.6 mp0 -117.64 86.56 23.86 Favored Pre-proline 0 C--O 1.236 0.348 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 944' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 945' ' ' PRO . 51.3 Cg_exo -53.91 133.24 53.84 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.191 1.928 . . . . 0.0 113.089 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 945' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 944' ' ' PRO . 50.4 Cg_exo -48.43 -175.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.679 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -119.67 149.27 47.88 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.116 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.04 128.32 21.88 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.021 1.814 . . . . 0.0 113.039 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 948' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 23.3 p90 -153.27 145.91 24.24 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' B' ' 949' ' ' GLU . 34.2 mp0 -86.36 132.14 34.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.813 0.339 . . . . 0.0 111.152 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.53 111.65 23.69 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.244 0.545 . . . . 0.0 110.203 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 951' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.2 tt -130.46 120.0 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.148 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.49 81.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.209 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 953' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.24 -39.79 94.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.667 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 25' ' ' GLU . 3.8 m-30 -87.08 94.92 9.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.5 tp -100.16 -43.71 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.275 0.559 . . . . 0.0 109.869 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.0 t -139.51 135.32 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' OE1' ' CD2' ' A' ' 22' ' ' TYR . 8.8 pt-20 -164.03 149.35 10.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE2' ' OE1' ' A' ' 111' ' ' GLU . 2.8 t80 -171.85 150.09 2.57 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.692 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -75.33 155.0 37.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.21 156.14 30.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.195 0.522 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 141.61 16.62 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.188 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -100.42 163.1 12.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 80.4 mtp -113.69 140.66 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.518 ' OG ' ' NZ ' ' A' ' 34' ' ' LYS . 25.2 t -77.75 122.98 26.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -111.57 121.77 46.03 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.992 0.425 . . . . 0.0 110.957 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' NZ ' ' OG ' ' A' ' 32' ' ' SER . 5.0 ptpt -153.42 139.15 17.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.475 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.27 3.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.57 64.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.57 0.7 . . . . 0.0 109.514 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m -151.39 106.39 3.29 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.822 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.9 t -95.92 106.48 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.351 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -127.24 158.71 68.43 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.43 126.96 20.49 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 121.61 1.54 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -85.09 143.67 28.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.09 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.38 -9.35 59.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -87.55 126.07 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.798 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -85.84 152.86 22.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.36 163.72 25.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.4 tt -125.88 134.35 51.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.805 0.336 . . . . 0.0 110.44 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.0 t -99.69 120.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.323 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -120.13 124.97 47.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.363 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 77.7 mt -129.0 130.95 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.182 0.515 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.55 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -145.53 138.79 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.614 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -94.14 129.53 40.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -78.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -179.37 -22.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.54 26.96 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m 70.9 26.09 3.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.5 mt -109.25 136.85 48.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.292 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -103.6 133.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.183 0.516 . . . . 0.0 110.665 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -98.81 110.26 22.89 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.48 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -94.58 116.89 29.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.126 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -122.51 130.83 53.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.476 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -112.17 110.31 20.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -103.18 147.33 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.02 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 67' ' ' GLY . 7.8 m-20 -96.98 124.48 40.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.504 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -66.78 -40.59 88.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.076 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.1 m -65.0 -45.47 85.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.7 m -86.55 -29.16 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.087 0.47 . . . . 0.0 110.152 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.13 16.36 75.03 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -122.71 163.78 19.5 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.121 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -75.27 126.21 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.04 -40.46 9.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.69 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -151.73 138.64 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 51.8 p-10 -150.74 131.18 13.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.33 151.05 16.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.993 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.0 mt -81.83 134.83 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.64 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.07 125.16 74.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.006 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -71.26 152.67 94.37 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.198 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 24.5 Cg_endo -62.52 140.48 81.93 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 121.486 1.457 . . . . 0.0 111.083 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 7.2 t0 76.65 -13.82 0.89 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.43 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -87.42 77.31 8.9 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.198 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 79' ' ' ASP . 0.8 OUTLIER 171.25 97.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.378 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 82' ' ' PHE . 1.3 tm-20 -82.27 131.99 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.463 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.6 p90 -115.67 134.56 54.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.945 0.402 . . . . 0.0 110.6 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -143.38 167.66 21.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.56 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -114.83 145.55 42.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.562 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.31 91.05 31.55 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 108.36 0.55 Allowed 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.909 1.74 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CG ' ' B' ' 948' ' ' PHE . 91.7 mm-40 -113.49 -26.12 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -149.75 152.91 35.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.65 -22.74 70.13 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.409 2.073 . . . . 0.0 112.019 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.1 t -114.82 112.46 22.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.05 163.96 37.87 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -164.61 167.56 19.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 110.61 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.18 155.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.81 143.18 34.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.1 p -123.58 130.45 74.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -110.53 121.23 44.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.209 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.99 128.05 55.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.367 0.417 . . . . 0.0 110.103 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CE1' ' NZ ' ' A' ' 103' ' ' LYS . 66.3 m-85 -87.42 119.48 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -64.8 -35.57 81.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.167 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.35 70.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.78 -148.09 7.27 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 p -142.27 11.85 1.95 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.839 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.585 ' NZ ' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -82.23 154.39 25.44 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.678 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' NE ' ' OH ' ' B' ' 950' ' ' TYR . 0.0 OUTLIER -133.82 137.96 45.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.127 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -116.16 149.85 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -115.1 115.62 27.08 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.257 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -137.22 152.47 49.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.212 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.461 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 4.3 p-90 -149.61 155.75 40.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.43 ' O ' ' CG2' ' A' ' 114' ' ' THR . 0.0 OUTLIER -71.65 62.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.207 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.56 -23.63 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.504 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.516 ' OE1' ' CE2' ' A' ' 26' ' ' PHE . 87.9 tt0 -46.55 124.24 7.5 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.88 -25.87 16.76 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.503 2.135 . . . . 0.0 113.393 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 115' ' ' ASP . 25.1 mtpp -61.97 -45.05 95.35 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.418 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.472 ' C ' ' O ' ' A' ' 113' ' ' LYS . 1.9 p 22.02 40.86 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.066 0.854 . . . . 0.0 111.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 113' ' ' LYS . 97.8 m-20 -101.53 -28.56 12.47 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -122.15 27.13 8.16 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.131 0.491 . . . . 0.0 110.146 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 34.7 p-10 -58.88 -38.47 78.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.88 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.5 ' O ' ' SG ' ' A' ' 121' ' ' CYS . 98.9 mt-10 -65.36 -41.87 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.41 -40.47 81.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.49 ' NE2' ' CE1' ' A' ' 26' ' ' PHE . 47.7 m-70 -64.05 -42.69 96.96 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.776 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' A' ' 118' ' ' GLU . 22.3 p -69.76 -37.19 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.919 0.39 . . . . 0.0 110.277 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . 0.409 ' N ' ' SG ' ' A' ' 121' ' ' CYS . 24.0 mmt180 -73.1 -41.77 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.099 0.476 . . . . 0.0 110.184 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -67.79 -43.59 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.904 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.0 m -69.53 -37.81 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.452 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -61.58 -44.22 97.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.017 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.96 -44.11 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.03 -42.3 89.79 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.424 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.66 -29.57 59.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 110.604 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 130' ' ' ASN . 24.2 t-20 -87.5 -15.63 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.562 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 129' ' ' ASN . 7.3 t30 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.469 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 940' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' B' ' 940' ' ' GLN . 7.4 mp0 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -127.98 82.78 67.76 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.566 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.23 148.09 62.44 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.739 2.293 . . . . 0.0 112.06 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 943' ' ' GLU . . . . . 0.485 ' N ' ' CD ' ' B' ' 943' ' ' GLU . 0.8 OUTLIER -100.06 108.08 50.24 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.595 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 944' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 945' ' ' PRO . 83.9 Cg_exo -50.69 131.25 32.89 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.075 1.85 . . . . 0.0 112.369 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 945' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 944' ' ' PRO . 52.3 Cg_exo -48.72 -177.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.812 1.675 . . . . 0.0 112.193 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 946' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' B' ' 946' ' ' GLU . 40.3 mp0 -114.75 150.7 44.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.592 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.44 131.96 43.57 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.052 1.834 . . . . 0.0 112.803 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 948' ' ' PHE . . . . . 0.525 ' CG ' ' OE1' ' A' ' 87' ' ' GLN . 42.6 p90 -149.16 159.92 43.82 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -92.61 123.25 35.77 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.303 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 950' ' ' TYR . . . . . 0.439 ' OH ' ' NE ' ' A' ' 104' ' ' ARG . 23.4 t80 -94.78 96.8 9.61 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.689 0.756 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 951' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.8 mt -121.68 127.74 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-N 114.225 -1.352 . . . . 0.0 108.939 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -65.29 80.45 0.05 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.858 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 953' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.1 t0 . . . . . 0 C--O 1.221 -0.446 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.611 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' CG ' ' H ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -58.36 -80.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.421 ' H ' ' CG ' ' A' ' 21' ' ' LYS . 74.4 m-85 -114.86 124.05 50.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.319 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.81 -62.91 1.37 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.049 0.452 . . . . 0.0 110.055 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.08 118.01 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.439 179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 20.6 pm0 -140.7 143.01 34.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.779 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER 179.59 173.84 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.0 mtm-85 -88.64 164.25 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.426 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.76 159.23 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.67 144.38 17.92 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -92.08 -171.75 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.597 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 62.7 mtp -130.71 137.84 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.379 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.7 108.65 9.87 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.9 tp -104.26 103.67 13.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.393 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 21.9 mtmt -140.04 136.24 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.688 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' ' 36' ' ' THR . . . 39.44 56.26 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' GLY . 5.5 p 49.37 63.53 2.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 -178.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 17.1 m -146.63 109.09 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.562 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.1 t -101.64 102.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.671 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.16 161.21 55.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 123.328 0.392 . . . . 0.0 110.297 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.97 123.28 13.48 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.386 2.057 . . . . 0.0 112.469 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -71.42 129.04 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.616 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -64.35 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.496 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -80.56 146.19 31.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -102.7 137.57 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.1 160.86 13.0 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' LYS . 25.4 tp -117.74 120.69 38.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.665 0.269 . . . . 0.0 110.292 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -92.39 116.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -130.28 121.62 26.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.689 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.0 mt -131.67 130.8 62.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.671 HE22 ' HG1' ' A' ' 52' ' ' THR . 0.0 OUTLIER -128.92 134.11 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.286 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -89.73 129.14 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.671 ' HG1' HE22 ' A' ' 50' ' ' GLN . 2.0 m -134.03 143.89 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.222 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.73 -21.68 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -104.08 5.33 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.274 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -155.92 14.46 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.067 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.2 mt 54.94 -151.89 0.37 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.5 mp -87.47 126.18 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -101.21 114.64 28.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -94.6 120.86 35.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.595 ' HG ' ' HZ3' ' A' ' 62' ' ' LYS . 47.2 t -127.03 130.3 49.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.457 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -120.87 111.59 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.297 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.595 ' HZ3' ' HG ' ' A' ' 60' ' ' CYS . 1.1 mtpp -110.19 156.38 20.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.611 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 67' ' ' GLY . 35.0 p30 -97.07 125.19 41.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.687 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -66.67 -29.08 69.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.078 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -67.41 -29.71 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.05 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.693 ' HG ' ' H ' ' A' ' 68' ' ' ASN . 1.1 p -116.22 -20.92 9.61 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.85 18.4 72.41 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.693 ' H ' ' HG ' ' A' ' 66' ' ' SER . 66.6 t30 -114.52 154.0 29.02 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 111.293 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.26 134.22 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.378 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.83 -36.68 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.508 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -166.29 132.13 2.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 49.1 p-10 -136.43 130.67 33.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.605 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.6 mt -143.4 148.4 36.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.294 0.569 . . . . 0.0 110.496 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -84.51 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.355 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.4 mm -113.55 124.02 69.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.265 0.555 . . . . 0.0 110.355 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -75.75 149.02 82.95 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.391 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 41.7 Cg_endo -67.38 64.73 0.74 Allowed 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.595 2.196 . . . . 0.0 112.149 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 163.57 -19.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 67.1 t0 -96.42 98.81 10.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.649 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.468 ' SG ' ' O ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 165.86 99.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.446 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -107.9 128.76 54.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.282 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -109.43 137.55 47.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -124.26 147.26 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -118.15 133.41 55.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.1 m -115.2 89.41 20.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.875 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -83.51 83.49 1.83 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -102.46 -11.68 18.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.65 150.61 60.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.81 -20.92 58.53 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.539 2.16 . . . . 0.0 112.249 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.5 t -137.99 146.28 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.74 40.66 4.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.12 141.9 58.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.258 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.5 m -128.91 156.95 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -117.27 137.4 52.43 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.1 t -118.69 121.71 67.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.01 134.65 41.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.565 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -124.81 129.5 50.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 101' ' ' GLY . 54.9 m-85 -87.24 119.78 27.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -65.58 -31.21 72.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.88 -23.46 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 98' ' ' PHE . . . -146.36 -152.07 5.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 p -122.21 14.62 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.596 ' NZ ' ' CB ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -65.24 132.97 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.546 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.3 129.59 55.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 mt -115.33 133.69 55.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.348 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.94 124.2 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -156.52 167.59 29.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.481 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 8.7 p-90 -145.03 159.54 42.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 61.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.81 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.55 HE21 ' C ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -65.29 -12.57 53.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.915 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -61.95 148.27 88.4 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.253 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.64 -24.07 63.02 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.495 2.13 . . . . 0.0 112.472 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -83.13 93.06 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.06 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -107.35 16.4 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.909 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.82 -4.22 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -136.11 23.06 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.345 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.4 -41.01 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -69.37 -40.49 77.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.13 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -65.27 -46.18 81.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.426 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.6 t -61.33 -47.22 86.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.49 -45.37 76.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.81 -44.61 89.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.51 -44.26 98.67 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.76 -40.24 96.21 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.739 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 130' ' ' ASN . 53.3 tp10 -63.49 -44.6 93.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.904 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -65.0 -44.01 90.64 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.192 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -99.14 11.98 37.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.425 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 126' ' ' GLU . 51.0 p30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.615 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -116.22 147.62 39.81 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.74 157.14 56.08 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.814 2.343 . . . . 0.0 112.126 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -94.63 112.94 59.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.421 -0.511 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.3 150.6 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.699 1.599 . . . . 0.0 113.277 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.01 -176.57 1.32 Allowed 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.955 2.436 . . . . 0.0 111.601 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -118.25 151.8 49.8 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.83 128.78 27.99 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.244 1.963 . . . . 0.0 112.576 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 948' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 30.7 p90 -148.43 150.73 33.99 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.564 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -86.07 125.4 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.821 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -88.25 109.77 20.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.193 0.52 . . . . 0.0 110.252 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 951' ' ' ILE . . . . . 0.526 ' O ' ' N ' ' B' ' 953' ' ' ASP . 17.9 tt -134.79 117.08 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.171 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 952' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 952' ' ' ASP . 53.1 p-10 -58.02 81.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.679 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 953' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' B' ' 951' ' ' ILE . 59.2 p30 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.677 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 p30 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -62.1 -42.13 98.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -80.8 101.15 9.17 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.0 mt -79.83 -44.65 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.697 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.8 t -130.12 129.49 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -159.78 141.89 13.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -159.44 159.14 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.91 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -83.29 149.02 27.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.406 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.66 149.14 26.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.228 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -107.58 141.89 15.73 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 173.93 7.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.5 mtp -124.67 141.75 51.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -77.13 142.75 39.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.32 118.25 27.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.834 0.35 . . . . 0.0 110.607 -179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' GLY . 40.8 mttt -144.9 125.1 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 30.73 66.91 0.13 Allowed Glycine 0 N--CA 1.469 0.886 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 35' ' ' GLY . 1.4 p 50.16 63.63 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.164 -178.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.5 m -149.1 123.17 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -116.73 120.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 123.137 0.273 . . . . 0.0 111.022 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.561 ' HG1' ' N ' ' A' ' 40' ' ' PRO . 0.3 OUTLIER -143.81 161.33 46.66 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.549 179.47 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.561 ' N ' ' HG1' ' A' ' 39' ' ' THR . 12.6 Cg_endo -56.33 122.67 12.2 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.044 1.83 . . . . 0.0 111.928 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.18 143.26 35.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.481 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -71.57 -27.48 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.705 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -75.7 146.64 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.18 134.28 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.987 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.83 146.14 17.02 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.1 tp -115.97 124.78 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 65.0 t -98.98 116.31 41.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -120.58 123.62 43.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.316 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 78.7 mt -124.68 129.2 73.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.036 0.446 . . . . 0.0 110.749 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -135.61 134.51 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.381 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -98.79 125.7 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.2 p -87.88 171.46 10.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -75.1 -0.91 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.759 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -95.64 8.73 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 69.54 26.4 5.11 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 mt -116.58 137.43 52.18 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.699 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.58 131.93 44.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 121.047 0.451 . . . . 0.0 110.563 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -98.55 115.44 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.729 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.43 117.69 34.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.264 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.6 t -125.37 125.32 43.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.324 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.548 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 80.6 t90 -117.37 109.92 17.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.669 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -114.44 147.52 39.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.585 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.6 m-20 -79.62 101.01 8.09 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.876 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -51.55 -29.72 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.86 0.362 . . . . 0.0 110.427 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 -44.93 96.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -104.59 -16.17 15.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.68 15.8 69.17 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -101.65 137.7 39.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -65.23 135.8 27.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 10.3 mm-40 -115.6 -41.15 3.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.826 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 70' ' ' GLU . 7.5 m-20 -143.46 135.2 26.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.675 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 45.1 p-10 -152.67 117.8 5.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 tp -155.59 144.69 20.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.945 0.403 . . . . 0.0 110.067 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.0 mt -76.29 138.14 21.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.64 124.48 73.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 78' ' ' ASP . 79.9 m-85 -78.3 124.27 85.71 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.069 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 67.1 Cg_exo -44.15 82.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.02 1.813 . . . . 0.0 112.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER 163.94 -24.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.75 179.521 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 99.0 m-20 -103.87 104.16 14.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 161.78 96.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.097 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -105.58 135.04 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.208 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -111.83 147.59 35.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.838 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -135.49 149.08 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.7 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -112.83 129.28 56.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.143 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -114.39 91.44 24.18 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.473 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -83.09 84.51 1.72 Allowed 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 122.518 2.145 . . . . 0.0 112.441 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.81 -30.88 16.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 91.0 m -134.34 148.62 68.45 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.767 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.64 -23.5 49.21 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.424 2.083 . . . . 0.0 112.263 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.433 ' OG ' ' OE2' ' B' ' 943' ' ' GLU . 29.7 t -101.2 127.1 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.893 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.56 162.67 38.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -135.91 134.14 38.4 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.176 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.4 t -124.15 128.64 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.19 145.34 45.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.36 131.64 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.89 117.31 33.72 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -105.84 118.11 35.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.582 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -90.38 96.75 10.81 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -62.5 -19.51 63.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.59 66.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.005 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.46 6.63 3.92 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 98' ' ' PHE . 34.8 m 54.82 46.72 23.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.59 0.233 . . . . 0.0 110.81 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -110.74 138.72 46.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.657 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.547 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -114.15 135.21 54.28 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.91 150.07 48.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.0 127.44 55.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.893 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -151.8 157.48 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.518 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 5.6 p-90 -148.49 158.46 44.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.58 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mmm -70.33 59.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.775 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.411 ' CG ' ' CH2' ' A' ' 108' ' ' TRP . 19.9 tm0? -65.72 -17.71 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.76 149.17 80.76 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.546 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.85 -37.01 76.42 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.078 1.852 . . . . 0.0 112.665 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -69.92 97.62 1.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.549 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.7 t -121.46 7.7 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.378 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.01 -5.79 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.83 27.1 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.053 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 117' ' ' ASP . 18.2 p-10 -62.33 -37.17 84.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.13 -43.95 96.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.323 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.83 -41.25 92.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -63.69 -44.69 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 92.8 m -65.71 -42.1 91.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -63.91 -43.89 94.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.79 80.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.24 -41.84 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.61 -41.05 98.77 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.76 -45.06 95.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.872 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.94 -45.26 93.2 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.917 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.87 -30.36 65.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.76 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -86.41 -10.66 53.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.789 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.588 -179.751 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -89.56 150.06 43.59 Favored Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.006 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -46.69 170.35 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.184 1.922 . . . . 0.0 112.046 178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 943' ' ' GLU . . . . . 0.433 ' OE2' ' OG ' ' A' ' 90' ' ' SER . 87.2 tt0 -123.36 84.57 52.22 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.054 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.08 142.53 94.23 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.9 -177.54 3.23 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.543 2.162 . . . . 0.0 111.759 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.07 153.42 42.56 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.062 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.74 128.74 19.19 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.68 1.587 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -149.49 148.78 29.81 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -85.88 135.75 33.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.958 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 950' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' B' ' 950' ' ' TYR . 3.1 t80 -99.16 96.28 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.468 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 951' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.9 mt -124.96 126.0 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.939 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.79 81.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.225 0.536 . . . . 0.0 109.968 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 953' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.663 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -60.44 -39.4 87.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.78 109.09 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.524 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 90.3 mt -96.94 -48.86 5.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.377 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.81 122.85 53.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.004 0.431 . . . . 0.0 109.936 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -146.67 126.14 13.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 0.9 OUTLIER -161.86 -166.81 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.49 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -109.24 156.37 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.418 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.05 140.56 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.62 132.09 10.97 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -86.09 -169.96 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.771 0.32 . . . . 0.0 110.548 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 24.9 mtp -126.84 144.63 50.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.4 t -82.26 121.87 27.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.167 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.37 109.39 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.051 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -146.55 128.74 15.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.65 60.03 1.25 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 49.57 62.34 2.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 109.973 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -145.96 125.71 13.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.149 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.43 107.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.806 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 168.81 15.64 Favored Pre-proline 0 N--CA 1.451 -0.38 0 O-C-N 123.82 0.7 . . . . 0.0 110.515 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.44 127.19 24.3 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.641 2.228 . . . . 0.0 112.071 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -82.03 108.48 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.421 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -56.52 -20.8 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -87.12 99.88 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.245 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -78.84 140.72 38.12 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.453 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.85 178.34 16.54 Favored Glycine 0 N--CA 1.46 0.266 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.2 129.99 52.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.814 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.402 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 14.9 p -98.72 118.07 44.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.593 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 1.4 t80 -126.82 122.63 35.28 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.427 ' N ' ' CD1' ' A' ' 48' ' ' TYR . 48.7 mt -126.29 136.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.55 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -138.16 144.72 40.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.838 178.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -89.5 127.12 35.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.2 m -87.97 157.68 18.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.439 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 55' ' ' SER . 94.5 m-20 -59.37 -37.88 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.8 m-20 -61.63 -0.94 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 3.0 p 83.02 18.31 0.26 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.2 mp -108.38 149.45 28.7 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.592 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.435 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.4 mp -100.6 129.13 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 0.0 110.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.6 117.92 30.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.557 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -98.61 113.68 25.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.441 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.7 m -121.71 125.37 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.527 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 81.2 t90 -125.07 113.76 18.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.103 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 156.47 23.6 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.062 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.2 m-20 -86.59 130.52 34.46 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -68.97 -38.57 79.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.8 m -63.33 -44.24 95.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.8 m -94.23 -29.13 15.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 72.16 16.03 76.81 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -108.98 157.17 18.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.703 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 m -81.8 130.15 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.57 -35.21 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.49 123.25 21.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.405 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.27 113.22 4.5 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.371 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.6 tp -154.99 148.9 25.68 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 110.395 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.95 139.1 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.8 mt -123.59 125.35 71.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -75.68 151.26 84.73 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 19.0 Cg_endo -59.24 132.89 49.3 Favored 'Trans proline' 0 C--N 1.3 -1.993 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.5 t70 79.7 -12.15 1.1 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -61.74 -46.24 90.49 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.893 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.34 124.12 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.634 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -107.72 149.54 28.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.502 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 82' ' ' PHE . 17.2 p90 -100.97 134.06 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -131.23 164.3 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -116.94 139.18 50.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.426 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 10.4 p -115.69 90.72 27.46 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.118 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.83 102.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.564 ' OE1' ' CZ ' ' B' ' 948' ' ' PHE . 15.3 mt-30 -102.58 -45.92 4.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.403 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -154.55 156.02 31.19 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.346 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 17.8 Cg_endo -59.27 -35.09 97.87 Favored 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 122.901 2.401 . . . . 0.0 112.479 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.555 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 88.1 p -105.27 6.2 32.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.729 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.616 ' N ' ' SG ' ' A' ' 88' ' ' CYS . . . -133.16 133.3 6.93 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -140.48 154.46 46.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 94' ' ' TYR . 49.9 t -137.34 154.94 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.428 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 96.1 m-85 -103.36 138.06 40.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.446 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.4 t -127.62 126.1 66.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.689 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.9 mt -106.68 138.66 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -125.6 131.43 52.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -89.82 111.66 22.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -26.01 67.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.7 67.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -145.01 -127.89 2.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 m -146.79 19.75 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -71.41 140.58 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.645 HH12 ' HH ' ' B' ' 950' ' ' TYR . 0.0 OUTLIER -123.99 130.42 52.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.366 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 tt -119.39 118.73 31.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.0 OUTLIER -110.64 126.08 54.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -154.85 171.78 19.07 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.554 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 3.4 p-90 -140.04 155.42 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.45 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.08 64.94 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 111.15 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -63.62 -4.93 3.33 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.207 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -60.07 147.58 80.05 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.436 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 -41.03 64.97 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.43 102.42 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.705 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -112.1 1.02 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.12 -15.91 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -117.98 15.55 14.23 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 47.3 p-10 -63.06 -32.28 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 88.8 tt0 -63.31 -47.35 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.8 -41.61 97.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.429 ' NE2' ' CE1' ' A' ' 26' ' ' PHE . 62.5 m80 -64.36 -44.19 92.18 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.62 -40.59 88.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -71.43 -40.48 70.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -69.04 -43.25 75.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -31.92 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 129' ' ' ASN . 26.4 t-20 -65.55 -44.03 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.254 0.55 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.87 -43.47 98.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.631 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.06 -40.83 97.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 72.4 mt -83.07 -14.94 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 125' ' ' ASN . 25.4 t-20 -106.03 6.93 31.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.707 -179.719 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -69.11 148.21 97.65 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.653 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.48 145.49 58.94 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.648 2.232 . . . . 0.0 112.229 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -93.22 118.06 67.62 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.656 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.07 155.41 52.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.63 2.22 . . . . 0.0 112.451 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.98 -177.64 1.71 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.978 2.452 . . . . 0.0 112.052 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.75 152.4 44.74 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-O 121.049 0.452 . . . . 0.0 110.611 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.37 128.22 24.26 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 122.911 2.407 . . . . 0.0 112.258 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 948' ' ' PHE . . . . . 0.564 ' CZ ' ' OE1' ' A' ' 87' ' ' GLN . 33.5 p90 -148.62 149.74 32.04 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.913 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.92 119.95 28.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 950' ' ' TYR . . . . . 0.645 ' HH ' HH12 ' A' ' 104' ' ' ARG . 41.6 t80 -84.59 114.92 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 951' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 953' ' ' ASP . 8.3 tt -128.81 107.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 952' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' B' ' 952' ' ' ASP . 53.9 p-10 -53.03 80.84 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 953' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 951' ' ' ILE . 38.1 p30 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.527 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -145.74 66.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.337 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -118.79 111.11 18.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.101 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -55.03 3.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.656 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.5 t -120.67 126.33 75.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.206 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 3.2 pp20? -154.66 138.53 16.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 61.0 m-85 -160.62 166.45 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 99.7 mtt180 -91.37 152.48 20.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.29 152.84 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.04 138.38 14.92 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' NZ ' ' CE1' ' A' ' 106' ' ' PHE . 37.8 tttm -89.94 163.82 14.81 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.491 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -105.12 142.19 35.34 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.155 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.9 m -76.99 129.95 36.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.08 109.88 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -143.46 126.52 16.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.22 65.41 0.6 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 p 44.67 63.25 1.75 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.132 0.492 . . . . 0.0 110.008 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 m -149.01 114.25 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.291 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.29 114.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.77 162.41 52.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.62 121.37 9.91 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.002 1.801 . . . . 0.0 112.157 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -96.84 145.94 25.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.67 -8.03 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.601 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.475 ' NE ' ' HG1' ' A' ' 65' ' ' THR . 1.4 mmt85 -73.21 109.35 6.68 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.377 0.608 . . . . 0.0 110.786 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -83.29 132.99 35.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.815 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.06 152.05 17.97 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -114.19 126.1 54.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -98.46 118.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.687 0.279 . . . . 0.0 111.065 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.13 121.77 36.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.239 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.409 HG23 HD11 ' A' ' 49' ' ' ILE . 52.7 mt -134.48 135.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.567 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.551 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 3.6 pp0? -144.8 138.82 27.37 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.639 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -107.75 128.73 54.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.694 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 164.56 12.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.485 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.28 -2.27 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.0 t0 -70.86 -12.32 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.577 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER 85.97 47.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.133 0.492 . . . . 0.0 110.053 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.99 155.49 6.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mt -115.39 137.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -97.2 123.07 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.767 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -105.72 118.14 35.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.729 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.514 ' SG ' ' OD1' ' A' ' 72' ' ' ASP . 55.9 m -124.96 132.02 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.557 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.491 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 37.3 t90 -124.82 110.46 14.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 109.884 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -112.79 137.89 50.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.068 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.583 ' O ' ' N ' ' A' ' 67' ' ' GLY . 98.0 m-20 -83.28 124.58 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.401 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 78.8 mtp180 -70.28 -36.38 74.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.475 ' HG1' ' NE ' ' A' ' 43' ' ' ARG . 82.2 p -62.81 -38.12 89.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.781 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.461 ' HG ' ' H ' ' A' ' 68' ' ' ASN . 94.8 p -103.7 -23.69 13.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.601 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.583 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 69.31 15.94 70.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.461 ' H ' ' HG ' ' A' ' 66' ' ' SER . 4.7 m-20 -110.84 142.77 42.43 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 -179.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -67.9 131.91 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.95 -40.52 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -137.94 125.93 22.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.54 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.514 ' OD1' ' SG ' ' A' ' 60' ' ' CYS . 16.1 t70 -150.92 108.28 3.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 tp -154.99 150.11 26.99 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 110.025 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.2 mt -72.43 144.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.77 122.23 67.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.403 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -98.19 150.27 36.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.519 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.43 ' O ' ' OD1' ' A' ' 79' ' ' ASP . 76.3 Cg_exo -48.75 145.55 12.74 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.057 1.838 . . . . 0.0 111.944 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 77.72 -16.93 0.61 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.774 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 77' ' ' PRO . 1.8 m-20 -100.07 81.81 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.441 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 171.05 82.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.267 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -99.53 129.49 45.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.065 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -110.22 147.35 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.38 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.75 144.13 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.92 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.3 ptt85 -119.63 138.14 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.21 90.35 23.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.452 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.13 84.01 1.81 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.628 2.218 . . . . 0.0 112.281 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -90.13 -40.65 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.54 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.5 p -162.08 147.08 9.99 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.33 -13.05 38.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.659 2.24 . . . . 0.0 112.168 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -60.51 -40.36 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.39 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.62 149.22 20.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.68 145.21 51.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.02 148.09 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.527 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.62 142.72 46.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -118.13 126.64 75.1 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -109.33 129.6 55.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.2 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -115.34 111.22 20.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 109.973 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.547 ' O ' ' N ' ' A' ' 102' ' ' SER . 94.2 m-85 -91.98 117.17 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -70.89 -25.23 62.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.34 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.54 -2.26 8.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 98' ' ' PHE . 50.9 m 48.07 53.83 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.269 . . . . 0.0 110.464 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -128.43 150.84 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.593 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -110.44 119.37 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.635 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tp -103.82 127.35 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.501 ' CE1' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -110.49 115.48 29.71 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.721 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -154.69 164.48 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 110' ' ' GLN . 6.0 p-90 -142.14 160.55 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.97 63.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.489 0.661 . . . . 0.0 110.463 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 108' ' ' TRP . 21.7 tm0? -62.86 -17.22 61.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.757 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.18 132.92 75.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.085 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.68 -16.28 51.89 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 122.26 1.973 . . . . 0.0 113.123 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -90.0 97.16 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.11 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.6 p -118.16 33.91 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.914 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.56 -15.79 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.255 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.74 26.0 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.166 0.508 . . . . 0.0 110.416 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.83 -40.44 92.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.364 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.28 -44.56 91.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.818 0.342 . . . . 0.0 110.634 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -68.91 -42.34 77.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.688 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -66.11 -42.54 89.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.94 -48.54 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -66.86 -40.66 87.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.502 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -64.85 -43.65 92.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.684 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 66.8 t -65.63 -45.22 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.682 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.425 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 130' ' ' ASN . 87.7 tt0 -64.61 -42.03 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -69.16 -36.33 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.962 0.41 . . . . 0.0 110.632 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.31 -43.45 64.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.444 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -108.88 -46.43 3.62 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.434 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 126' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.655 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.174 0.512 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 66.64 112.88 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.604 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 942' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' B' ' 943' ' ' GLU . 60.1 Cg_endo -74.83 141.08 26.72 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.939 1.759 . . . . 0.0 111.721 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 943' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 942' ' ' PRO . 9.2 mm-40 6.18 73.09 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.743 0 O-C-N 124.117 0.886 . . . . 0.0 111.283 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.88 142.27 98.25 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.159 1.906 . . . . 0.0 112.597 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.87 -177.18 2.41 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.528 2.152 . . . . 0.0 111.36 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -128.12 150.38 73.69 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.514 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.08 128.71 30.1 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.909 1.739 . . . . 0.0 112.716 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 948' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 24.9 p90 -152.24 144.84 24.2 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.16 132.7 34.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 0.0 111.114 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -97.47 111.14 23.53 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.344 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 951' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 953' ' ' ASP . 21.4 tt -132.38 122.57 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.614 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -56.26 81.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.43 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 953' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.5 m-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.637 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.479 ' H2 ' ' H ' ' A' ' 21' ' ' LYS . 20.1 p30 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' H ' ' H2 ' ' A' ' 20' ' ' ASN . 66.7 mmtt -65.57 -38.91 90.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.18 122.6 26.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.352 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.49 -62.69 1.24 Allowed 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -125.55 122.5 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.258 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 21.8 pt-20 -149.8 129.18 12.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 69.7 m-85 -154.79 167.92 28.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 2.4 mpt_? -86.34 156.26 20.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.67 144.63 20.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 110.583 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.16 145.64 16.31 Favored Glycine 0 N--CA 1.466 0.676 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -92.94 -174.67 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.593 0.235 . . . . 0.0 110.534 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.5 mtp -127.5 141.97 51.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.529 ' OG ' ' CE ' ' A' ' 34' ' ' LYS . 8.8 t -78.14 125.06 28.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.2 118.44 36.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.25 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.529 ' CE ' ' OG ' ' A' ' 32' ' ' SER . 8.1 ptpt -156.4 134.23 11.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.56 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 36.35 57.55 1.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 48.85 62.4 2.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.234 0.54 . . . . 0.0 109.844 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 m -146.88 121.53 9.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.238 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 t -113.26 116.93 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.719 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.87 172.14 6.83 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.615 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.88 127.91 28.07 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.587 2.191 . . . . 0.0 112.246 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -96.3 116.59 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -52.83 -23.88 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.37 129.15 37.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -110.57 143.81 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.45 175.53 17.8 Favored Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 tt -126.47 125.78 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.717 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.34 121.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.49 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -127.99 123.64 35.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.405 HD11 HG22 ' A' ' 49' ' ' ILE . 76.6 mt -127.91 138.69 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.129 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 3.4 pp0? -150.25 149.27 29.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -95.15 131.92 40.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.51 -153.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -99.9 -16.18 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -98.37 15.27 25.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.606 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.23 23.41 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.291 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 mp -100.1 133.18 44.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.651 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.483 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.5 mp -94.98 127.27 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' NE2' ' OD1' ' A' ' 72' ' ' ASP . 7.1 t-160 -98.71 120.97 40.04 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.228 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -101.03 112.46 24.92 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t -121.39 130.59 53.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -124.04 112.2 16.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -103.3 160.03 15.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.789 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' GLY . 97.7 m-20 -99.09 124.05 43.82 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -70.67 -29.22 65.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.929 0.395 . . . . 0.0 110.421 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.4 p -76.83 -30.04 56.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -106.82 -35.94 6.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 80.98 11.89 83.26 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -111.63 153.45 26.34 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.7 m -73.27 122.22 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.56 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -98.18 -39.73 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -139.32 128.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 14.6 t70 -152.07 112.16 4.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.35 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -147.57 144.73 28.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 120.879 0.371 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.99 141.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 96.6 mt -120.47 124.69 73.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 78' ' ' ASP . 55.3 m-85 -89.53 141.7 28.92 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.971 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 51.4 Cg_exo -45.59 74.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.986 2.457 . . . . 0.0 112.601 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER 157.45 -35.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.815 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 63.5 t0 -82.15 84.19 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER 162.26 102.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.719 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -106.17 127.76 53.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -110.52 140.3 44.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.381 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -138.7 162.36 34.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -117.99 140.51 49.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -115.34 90.39 24.62 Favored Pre-proline 0 C--O 1.234 0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.226 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -50.63 103.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.609 2.206 . . . . 0.0 112.113 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.73 -41.41 3.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.678 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 91' ' ' GLY . 53.8 t -135.06 129.34 18.96 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -48.38 -34.51 25.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.575 2.184 . . . . 0.0 112.093 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -102.94 -2.44 27.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -138.81 129.42 4.47 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -131.63 135.11 46.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.328 . . . . 0.0 110.527 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.4 t -96.3 143.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -107.18 141.28 38.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.439 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.2 138.45 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.666 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 mt -112.05 130.24 55.94 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -114.53 117.21 30.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -89.93 117.34 28.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.151 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.04 -22.33 66.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.71 -30.15 56.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 103' ' ' LYS . . . -119.56 -1.62 13.53 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.609 ' N ' ' O ' ' A' ' 98' ' ' PHE . 16.9 m 48.45 13.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.701 0.286 . . . . 0.0 110.362 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' A' ' 101' ' ' GLY . 6.8 pttt -81.78 158.66 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.32 111.91 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.324 0.39 . . . . 0.0 110.346 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.1 tp -94.1 130.29 40.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -110.24 127.97 55.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -154.65 164.03 39.35 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.401 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.546 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 3.7 p-90 -133.77 153.43 51.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 mmm -69.28 63.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -9.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.248 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.38 144.8 91.58 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.99 -20.98 50.35 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.853 2.368 . . . . 0.0 112.332 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -92.32 74.53 5.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 2.2 t -96.5 0.55 50.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.94 -24.66 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -114.47 26.57 10.12 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.13 -40.84 86.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -70.5 -46.06 64.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.53 -39.97 88.89 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.842 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -61.9 -48.24 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.409 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -63.62 -45.18 91.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -64.33 -44.93 90.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -63.15 -43.43 98.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.415 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.97 -42.88 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.011 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -66.64 -37.8 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.967 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 130' ' ' ASN . 88.4 tt0 -60.59 -46.63 89.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.566 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -66.16 -43.42 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.19 -40.34 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.53 9.84 42.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.53 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 126' ' ' GLU . 98.5 m-20 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.502 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 64.12 72.09 0.55 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 0.0 110.552 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.36 171.92 16.69 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 123.003 2.468 . . . . 0.0 112.04 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 943' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' B' ' 943' ' ' GLU . 39.2 mp0 -116.58 94.37 43.15 Favored Pre-proline 0 C--O 1.233 0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.88 150.23 30.86 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.736 2.29 . . . . 0.0 112.294 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.38 -178.57 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.986 2.457 . . . . 0.0 112.124 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -114.5 149.14 41.71 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.681 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.63 129.36 23.39 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.505 2.137 . . . . 0.0 112.266 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.95 146.82 26.52 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.06 130.19 34.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -96.21 107.9 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.361 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 951' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.9 tt -132.53 120.11 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.24 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -48.45 81.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.139 0.495 . . . . 0.0 110.974 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 953' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.8 p-10 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.483 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -148.68 92.71 2.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.306 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.64 118.03 33.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -104.11 -50.02 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.313 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.3 t -133.42 127.53 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.992 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 26.0 pt-20 -162.91 140.43 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER 178.95 173.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' N ' ' CD ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -80.54 160.39 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.476 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.72 158.42 35.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.288 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.59 126.73 7.39 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -93.9 -167.48 1.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.728 0.299 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 80.4 mtp -134.2 143.57 47.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.179 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' THR . 49.7 m -76.5 140.51 41.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.6 tp -124.28 109.19 13.06 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' GLY . 38.2 mtmt -132.29 129.04 39.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.989 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 32.17 64.49 0.24 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.4 64.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.202 0.525 . . . . 0.0 109.65 -177.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 34' ' ' LYS . 5.0 m -151.31 105.46 3.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.641 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -97.93 117.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.676 -178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -139.38 167.63 18.16 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 179.732 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.01 131.25 43.55 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.823 1.682 . . . . 0.0 112.739 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -92.67 114.9 27.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.301 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.67 -20.0 64.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -88.77 121.74 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.423 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -85.34 150.66 24.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.415 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -120.97 171.38 14.8 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tp -116.32 116.83 28.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.36 118.73 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.42 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 25' ' ' GLU . 2.5 m-85 -125.56 122.48 36.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.341 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.422 HG21 HD12 ' A' ' 49' ' ' ILE . 57.9 mt -130.78 132.5 64.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.06 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 3.9 pp0? -142.24 149.26 39.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.463 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -105.7 131.26 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -105.41 153.98 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.98 -10.92 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.427 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -73.88 1.36 10.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.633 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 71.82 48.92 0.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 pp -160.92 142.59 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.03 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -98.69 134.12 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.606 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -98.29 123.09 42.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.882 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -104.56 118.18 35.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.299 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -122.33 127.82 50.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -118.69 110.3 17.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.703 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -109.75 154.33 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.36 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' SER . 3.8 m-20 -88.94 89.77 8.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -38.97 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 63' ' ' ASP . 100.0 m -61.02 -44.79 96.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.124 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ASP . 92.2 p -108.82 -16.03 14.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.54 13.76 74.55 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -98.46 156.45 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 111.204 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.3 m -80.05 125.5 38.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -106.03 -34.66 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -151.36 132.3 14.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 42.0 p-10 -151.12 122.62 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -149.08 141.03 23.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.925 0.393 . . . . 0.0 110.065 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -74.87 137.73 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.627 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -120.61 122.74 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.942 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.38 167.39 11.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.549 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.498 ' C ' ' H ' ' A' ' 79' ' ' ASP . 44.9 Cg_exo -57.76 144.22 93.79 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.174 1.916 . . . . 0.0 112.07 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 1.3 t0 75.6 -25.68 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.498 ' H ' ' C ' ' A' ' 77' ' ' PRO . 63.1 t0 -89.09 69.6 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.517 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.92 105.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.43 117.23 30.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 54.2 p90 -102.93 121.56 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.197 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -156.37 162.85 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -117.73 147.38 43.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.269 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 11.8 p -107.71 107.38 60.25 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.85 125.84 9.02 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.878 1.718 . . . . 0.0 112.455 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.539 ' OE1' ' CD2' ' B' ' 948' ' ' PHE . 57.0 mt-30 -112.08 -31.74 6.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -150.45 168.68 10.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.484 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.88 -41.53 62.66 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 122.337 2.025 . . . . 0.0 112.553 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.503 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 90.3 p -107.58 172.93 6.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.9 152.25 28.64 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -130.24 132.81 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.47 140.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.524 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -117.35 139.44 50.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 83' ' ' LYS . 57.7 t -124.49 124.59 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.0 130.44 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.726 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -110.57 113.14 25.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.519 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' A' ' 102' ' ' SER . 96.6 m-85 -88.64 107.75 19.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.73 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -66.25 -21.68 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.59 13.28 2.0 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 98' ' ' PHE . 62.4 m 48.31 45.89 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -97.37 141.81 30.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.567 ' N ' ' CD ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -114.5 126.06 54.51 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.216 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -123.39 140.4 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -120.53 122.82 41.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -154.27 163.89 39.43 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.241 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.561 ' CD1' ' N ' ' A' ' 108' ' ' TRP . 4.1 p-90 -143.23 156.68 44.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.019 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.588 ' C ' ' H ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -67.91 64.11 0.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.883 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.47 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 40.5 tt0 -64.34 8.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.957 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.588 ' H ' ' C ' ' A' ' 109' ' ' MET . 88.1 tt0 -102.97 103.51 34.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.193 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.01 -20.5 16.77 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.046 1.831 . . . . 0.0 112.631 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -62.1 -23.84 66.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.227 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . 0.621 ' C ' ' H ' ' A' ' 116' ' ' GLN . 98.1 m -59.62 -42.11 91.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.818 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.1 t0 51.49 0.71 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.281 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.621 ' H ' ' C ' ' A' ' 114' ' ' THR . 73.6 mt-30 -133.2 30.95 3.87 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.824 0.345 . . . . 0.0 110.421 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 117' ' ' ASP . 63.6 t0 -55.12 -38.88 68.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -62.52 -45.73 91.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 0.0 110.58 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 60.5 mp0 -73.1 -33.68 65.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.442 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -60.58 -46.15 91.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.739 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' CYS . . . . . 0.411 ' O ' ' OD1' ' A' ' 125' ' ' ASN . 48.6 t -63.12 -45.81 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.954 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -61.76 -40.6 95.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.262 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -67.61 -43.77 79.64 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.002 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 53.1 t -64.18 -40.68 89.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.959 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 121' ' ' CYS . 28.3 m120 -62.34 -42.04 99.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.704 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -34.51 75.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -65.67 -48.54 71.76 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.93 -37.29 81.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.711 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.2 -2.11 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.672 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 941' ' ' GLU . . . . . 0.456 ' N ' ' HD2' ' B' ' 942' ' ' PRO . 2.2 mt-10 -62.64 -50.62 77.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 942' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' B' ' 941' ' ' GLU . 59.7 Cg_endo -74.74 157.16 44.05 Favored 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 122.384 2.056 . . . . 0.0 111.737 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 943' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' B' ' 944' ' ' PRO . 0.2 OUTLIER -131.51 145.3 57.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.35 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 944' ' ' PRO . . . . . 0.468 ' O ' ' OE1' ' B' ' 943' ' ' GLU . 55.2 Cg_endo -71.31 146.8 51.69 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.956 1.771 . . . . 0.0 112.951 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.27 -177.19 2.54 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.564 2.176 . . . . 0.0 111.914 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -118.46 148.62 44.41 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.315 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.0 129.07 23.77 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.861 1.707 . . . . 0.0 112.727 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 948' ' ' PHE . . . . . 0.539 ' CD2' ' OE1' ' A' ' 87' ' ' GLN . 29.3 p90 -153.36 143.6 22.32 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -87.45 132.15 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.76 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -95.02 108.97 21.05 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.468 0.651 . . . . 0.0 109.941 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 951' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.5 tt -128.95 126.27 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.714 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 952' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' B' ' 952' ' ' ASP . 6.4 t70 -55.17 81.06 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 953' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 951' ' ' ILE . 45.7 p-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.794 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.886 0.374 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -129.04 129.23 45.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.64 -63.62 1.26 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.428 HG11 HG22 ' A' ' 124' ' ' VAL . 85.4 t -123.87 124.52 69.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.952 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -151.83 129.07 11.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.441 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.83 144.55 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.572 ' HE ' ' NH2' ' A' ' 64' ' ' ARG . 81.7 mtt85 -73.58 148.34 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.202 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.45 149.64 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.08 128.27 9.42 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.475 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 63.2 tttm -87.23 156.57 19.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.643 0.259 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.528 ' HE2' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -108.97 138.6 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.533 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' THR . 39.1 t -78.01 112.3 14.78 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 37' ' ' THR . 63.1 tp -117.63 122.18 42.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.426 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.15 133.53 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.896 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.61 -108.23 0.16 Allowed Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -123.32 66.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.135 0.493 . . . . 0.0 110.217 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.469 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -165.51 129.9 2.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.345 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.716 HG12 ' O ' ' B' ' 948' ' ' PHE . 9.9 p -126.82 144.96 35.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.85 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -164.23 161.08 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 122.461 -0.149 . . . . 0.0 110.732 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.11 125.88 19.88 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 121.851 1.701 . . . . 0.0 110.774 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.96 137.48 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 0.0 110.607 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -21.12 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.778 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.526 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 31.9 ttp-105 -92.33 98.49 11.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.18 0.514 . . . . 0.0 110.331 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -74.54 153.32 39.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.119 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 179.06 16.93 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 tt -129.33 129.9 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.708 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.36 122.42 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -128.13 124.95 38.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.602 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 57' ' ' ILE . 77.8 mt -129.81 136.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.661 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.33 149.68 33.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.534 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -92.27 135.92 33.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.466 . . . . 0.0 111.327 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 p -84.74 -169.87 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -89.89 1.37 56.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -106.72 12.15 29.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.377 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t 71.53 28.56 2.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.84 148.29 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.632 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -100.12 133.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.433 . . . . 0.0 110.38 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -105.08 118.25 36.06 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.643 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -94.9 120.65 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.401 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.4 136.73 52.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.212 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -123.04 109.91 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.147 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.96 167.93 10.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 67' ' ' GLY . 24.8 t0 -101.74 128.43 48.07 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.572 ' NH2' ' HE ' ' A' ' 27' ' ' ARG . 14.9 mmm180 -64.46 -35.53 81.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -84.18 -31.57 25.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.809 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -40.62 7.41 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.009 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 81.81 6.77 88.74 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.381 -1.087 . . . . 0.0 110.381 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -99.95 151.38 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.797 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.463 ' H ' HG22 ' A' ' 69' ' ' VAL . 2.8 m -73.56 101.1 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.151 0.5 . . . . 0.0 110.494 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.43 -40.3 57.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.479 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -142.97 134.33 26.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.979 0.418 . . . . 0.0 111.048 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 50.9 p-10 -151.4 134.42 15.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -160.61 142.96 12.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.922 0.391 . . . . 0.0 110.187 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.0 mt -75.8 131.03 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.632 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 92.6 mt -122.87 127.19 74.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -94.89 133.24 26.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.954 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.32 88.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.822 1.681 . . . . 0.0 112.624 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER 168.95 -42.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.826 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.416 ' C ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -94.56 100.12 12.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 170.15 77.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.529 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -91.85 120.26 32.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -111.63 143.48 42.45 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.867 0.365 . . . . 0.0 110.705 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -134.8 161.62 34.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.233 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -111.68 129.57 56.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.929 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.466 HG23 HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -113.93 93.79 31.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.78 84.46 1.98 Allowed 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.758 1.639 . . . . 0.0 112.489 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' B' ' 946' ' ' GLU . 15.1 pt20 -69.23 -43.53 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 91' ' ' GLY . 45.2 t -152.81 132.42 7.11 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.323 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.42 -39.95 17.08 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.4 1.4 . . . . 0.0 111.551 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.6 t -61.99 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -130.51 138.89 10.51 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 121.123 -0.561 . . . . 0.0 111.746 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -142.81 160.22 40.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.0 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.579 HG22 ' N ' ' A' ' 94' ' ' TYR . 15.0 p -143.78 165.44 14.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.796 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.579 ' N ' HG22 ' A' ' 93' ' ' VAL . 89.0 m-85 -115.52 151.82 34.14 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.768 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.52 133.82 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.324 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 60.8 tp -110.61 123.69 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.958 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -110.77 120.71 43.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.4 m-85 -85.22 126.9 34.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.714 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.33 -24.85 63.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.28 -26.18 18.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 103' ' ' LYS . . . -102.85 -19.12 13.62 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' PHE . 15.8 p 59.47 -0.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.988 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER -81.63 162.31 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.449 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 127.03 52.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.214 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.1 tp -113.51 130.25 56.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.831 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -109.91 125.82 53.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -156.25 168.4 27.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.277 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.546 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 5.2 p-90 -147.52 156.63 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.455 ' SD ' ' SG ' ' A' ' 121' ' ' CYS . 2.1 mtp -69.08 62.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.14 -9.14 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.446 ' HG2' ' H ' ' A' ' 113' ' ' LYS . 87.9 tt0 -60.17 130.14 89.07 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.976 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.61 -27.74 8.19 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.875 1.717 . . . . 0.0 113.087 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.446 ' H ' ' HG2' ' A' ' 111' ' ' GLU . 12.0 mmtm -71.75 50.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.187 0.518 . . . . 0.0 110.455 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.1 m -65.34 -37.37 86.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -56.17 -17.45 7.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.271 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -119.15 22.09 12.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 40.6 p-10 -59.81 -42.63 93.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.019 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 24.4 pt-20 -71.33 -36.0 71.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 110.627 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.46 -42.2 87.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -67.45 -42.13 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.319 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.455 ' SG ' ' SD ' ' A' ' 109' ' ' MET . 93.3 m -65.49 -42.39 92.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.353 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.47 -40.79 96.36 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.256 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.91 67.55 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.243 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.428 HG22 HG11 ' A' ' 24' ' ' VAL . 53.9 t -62.51 -41.06 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.702 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -43.5 98.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.802 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.44 -42.41 92.45 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.754 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.96 -41.1 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.896 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' A' ' 57' ' ' ILE . 19.3 tp -70.73 -40.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.607 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 -179.41 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 CA-C-O 120.756 0.231 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.3 108.65 51.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.16 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.11 161.09 32.84 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.962 1.774 . . . . 0.0 113.216 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.58 -174.4 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 123.236 2.624 . . . . 0.0 111.488 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 946' ' ' GLU . . . . . 0.552 ' O ' ' NE2' ' A' ' 87' ' ' GLN . 99.5 mt-10 -128.01 148.61 68.11 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 947' ' ' PRO . . . . . 0.499 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.4 Cg_endo -67.03 134.11 33.19 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 121.362 1.374 . . . . 0.0 114.108 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 948' ' ' PHE . . . . . 0.716 ' O ' HG12 ' A' ' 38' ' ' VAL . 38.5 p90 -154.5 166.7 32.47 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.048 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 949' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' B' ' 949' ' ' GLU . 59.1 mp0 -94.01 120.59 34.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.128 0.49 . . . . 0.0 109.723 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -92.88 115.1 27.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.793 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 951' ' ' ILE . . . . . 0.593 ' O ' HG23 ' B' ' 951' ' ' ILE . 17.8 tt -134.23 115.68 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.774 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 952' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 54.3 p-10 -60.92 80.82 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.256 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 953' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 951' ' ' ILE . 68.3 t0 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.915 0.388 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -118.94 70.23 0.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.9 -49.01 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 110.3 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.486 HG13 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -142.41 141.02 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.573 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -151.0 123.92 8.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CE2' ' CE1' ' A' ' 120' ' ' HIS . 66.3 m-85 -138.31 148.74 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.168 0.509 . . . . 0.0 111.39 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.579 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 84.6 mtp180 -82.65 147.37 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.349 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -160.81 150.85 17.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.138 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.569 ' N ' ' OE1' ' A' ' 110' ' ' GLN . . . -110.16 142.47 16.55 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 30.1 tttt -83.86 -163.24 0.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 0.0 110.189 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -138.43 142.51 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.584 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -78.23 129.96 35.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.189 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 121.73 41.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.095 0.474 . . . . 0.0 111.121 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -155.37 135.02 12.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.013 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.67 55.35 2.7 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 48.42 64.68 1.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.636 0.731 . . . . 0.0 109.519 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -153.4 114.85 4.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.537 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.79 114.29 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.08 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.494 ' O ' ' SD ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -131.57 175.87 3.35 Favored Pre-proline 0 N--CA 1.451 -0.381 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 179.24 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.36 134.5 52.19 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.185 1.923 . . . . 0.0 112.558 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 30' ' ' LYS . 34.4 p-10 -92.25 138.25 31.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.759 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -80.59 -7.91 59.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.544 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.3 ttm105 -97.5 120.54 38.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.399 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -87.15 143.05 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.934 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.63 175.15 19.15 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.865 HD23 ' N ' ' A' ' 47' ' ' VAL . 3.3 tt -131.2 141.48 50.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.956 0.408 . . . . 0.0 110.801 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.865 ' N ' HD23 ' A' ' 46' ' ' LEU . 82.3 t -106.83 122.36 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.983 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.797 ' CE1' HD22 ' A' ' 46' ' ' LEU . 49.8 m-85 -116.68 130.93 57.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.788 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mm -124.16 127.06 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -135.7 137.89 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.302 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.432 ' HA ' HD12 ' A' ' 57' ' ' ILE . 60.7 tt0 -99.85 128.97 45.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.476 ' OG1' ' NE2' ' A' ' 58' ' ' HIS . 6.2 m -93.83 156.16 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.583 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.2 -26.18 68.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 55' ' ' SER . 56.2 m-20 -68.95 -2.96 11.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.664 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER 82.42 26.27 0.16 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.103 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 55' ' ' SER . 11.0 mp -119.24 142.87 47.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 51' ' ' GLN . 1.4 tp -100.13 147.84 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.19 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.476 ' NE2' ' OG1' ' A' ' 52' ' ' THR . 4.7 m-70 -114.33 124.68 52.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -109.18 112.55 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.47 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.0 t -120.67 130.5 54.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -108.93 112.4 24.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.168 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -106.94 139.05 41.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.372 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 67' ' ' GLY . 59.3 t0 -82.03 118.43 22.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.474 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.579 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 32.5 mtp180 -68.26 -37.82 81.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.517 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.2 m -60.87 -45.36 94.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.7 m -94.22 -25.15 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.101 0.476 . . . . 0.0 110.42 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 73.33 14.01 79.5 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -114.82 154.58 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.693 0.282 . . . . 0.0 111.153 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG22 ' H ' ' A' ' 69' ' ' VAL . 2.0 m -65.65 123.27 18.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.9 -44.56 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.735 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -159.89 150.28 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -152.01 148.42 27.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.236 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.73 142.55 12.35 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.026 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -83.12 136.19 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.696 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.8 mt -119.69 129.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.546 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.74 153.64 61.07 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.918 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 79' ' ' ASP . 69.2 Cg_exo -51.4 142.84 36.84 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.522 1.481 . . . . 0.0 112.06 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 69.04 -12.85 0.38 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.218 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 77' ' ' PRO . 8.0 t70 -89.62 77.56 7.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.038 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.77 101.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.392 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -102.44 132.76 48.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -104.77 137.64 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.262 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.92 147.76 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -119.05 135.05 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.406 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 85' ' ' VAL . 28.2 m -116.17 90.95 30.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.795 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.92 112.6 1.02 Allowed 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.191 1.927 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.677 ' NE2' ' CE2' ' B' ' 948' ' ' PHE . 2.9 mt-30 -113.63 -37.17 4.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.499 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.85 157.93 46.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.781 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -29.88 31.97 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.612 2.208 . . . . 0.0 112.292 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.5 m -105.41 -3.7 22.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.83 148.37 18.8 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -141.1 130.68 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.724 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.532 HG21 HE22 ' A' ' 87' ' ' GLN . 84.3 t -131.31 133.39 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.657 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -109.24 130.36 55.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.248 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.42 122.38 68.0 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.67 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 96' ' ' LEU . 53.9 mt -106.98 129.81 54.72 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.384 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -116.93 132.07 56.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.358 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -86.87 112.0 21.33 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -61.52 -33.12 73.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.0 69.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.322 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.93 -129.26 3.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.508 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 52.6 p -156.97 25.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.607 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -86.26 140.29 30.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 102' ' ' SER . 4.5 mpt_? -122.49 129.53 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.291 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 106' ' ' PHE . 1.4 tt -110.44 132.25 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.942 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.721 ' N ' HD23 ' A' ' 105' ' ' LEU . 31.1 m-85 -112.17 120.29 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -151.72 164.7 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.583 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.536 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.0 p-90 -143.65 155.37 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.304 0.574 . . . . 0.0 110.624 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.508 ' C ' ' H ' ' A' ' 111' ' ' GLU . 22.0 mmm -80.54 63.16 4.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.096 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.569 ' OE1' ' N ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -65.28 2.9 0.73 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.081 0.467 . . . . 0.0 110.271 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 109' ' ' MET . 21.4 pt-20 -61.1 150.36 79.09 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.821 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.76 -29.38 80.41 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.934 1.756 . . . . 0.0 112.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -63.42 -71.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 111.284 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.482 HG23 ' OD2' ' A' ' 117' ' ' ASP . 2.0 m 44.06 27.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -112.66 -7.4 13.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -137.19 25.97 2.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.111 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.482 ' OD2' HG23 ' A' ' 114' ' ' THR . 98.2 m-20 -60.65 -41.12 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.081 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.98 -40.73 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.42 -39.86 74.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.649 ' O ' HG23 ' A' ' 124' ' ' VAL . 48.1 m170 -63.59 -43.48 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.084 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -62.03 -43.52 98.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.755 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -37.7 84.35 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.148 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 120' ' ' HIS . 55.6 t -61.71 -43.41 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 129' ' ' ASN . 98.9 m-20 -65.34 -37.69 87.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.135 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.29 -43.12 92.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.061 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -71.22 -34.3 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.8 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.07 -23.95 35.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.617 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 125' ' ' ASN . 58.5 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.31 . . . . 0.0 111.158 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.49 1.303 0 N-CA-C 111.694 -0.156 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -114.1 94.69 35.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.37 142.83 46.16 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.403 2.069 . . . . 0.0 112.872 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.52 -178.11 2.1 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.501 2.134 . . . . 0.0 111.914 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -110.53 149.71 40.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -60.55 130.8 35.0 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.063 1.842 . . . . 0.0 112.809 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 948' ' ' PHE . . . . . 0.677 ' CE2' ' NE2' ' A' ' 87' ' ' GLN . 45.4 p90 -146.48 153.18 40.12 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.708 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -86.98 126.22 34.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.142 0.496 . . . . 0.0 110.814 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -97.77 97.3 8.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.835 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 951' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 953' ' ' ASP . 3.9 mm -118.78 122.32 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.102 -0.953 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.98 80.12 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.882 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 953' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.1 p-10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.455 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 pttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.683 0.278 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -127.94 123.03 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 23' ' ' LEU . 13.9 tp -99.7 -49.88 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.689 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.423 HG11 HG22 ' A' ' 124' ' ' VAL . 81.9 t -137.2 129.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.596 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -156.49 133.55 10.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.482 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.412 ' CZ ' ' NE2' ' A' ' 120' ' ' HIS . 79.2 m-85 -154.94 155.71 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -72.32 148.64 45.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -157.36 135.41 10.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.4 . . . . 0.0 110.649 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -88.79 151.82 22.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -96.98 166.52 11.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.657 0.265 . . . . 0.0 110.296 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.4 mtp -124.86 144.48 50.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.347 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.533 ' OG ' ' NZ ' ' A' ' 34' ' ' LYS . 34.7 t -76.96 151.38 35.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' CD2' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -133.88 107.85 8.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.84 0.352 . . . . 0.0 110.63 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' CD ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -134.38 127.48 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 34.2 63.68 0.42 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p 50.24 63.75 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 109.994 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -149.51 113.39 5.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.554 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.454 HG22 ' CD2' ' A' ' 33' ' ' LEU . 36.2 t -103.38 115.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.417 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.77 156.95 70.7 Favored Pre-proline 0 N--CA 1.446 -0.672 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.612 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -49.04 127.74 17.9 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.755 1.637 . . . . 0.0 112.966 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 63.6 t0 -99.01 133.27 43.51 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 26.5 pttm -59.22 -14.85 12.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.388 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -82.32 129.9 34.97 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.878 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -116.8 142.33 47.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.394 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.87 -174.48 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -130.14 138.77 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 111.132 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 28' ' ' ALA . 70.3 t -93.17 122.89 45.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.73 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 120.63 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 57' ' ' ILE . 92.0 mt -131.07 129.8 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.848 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -148.86 140.75 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.022 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -90.72 126.98 36.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 110.788 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 174.02 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -74.42 -2.85 27.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.709 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.52 12.99 36.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.508 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m 67.15 32.5 6.1 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.9 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 76' ' ' PHE . 67.6 mt -117.5 143.83 45.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.855 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 49' ' ' ILE . 1.6 mp -95.69 120.14 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.169 0.509 . . . . 0.0 110.583 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -88.25 114.47 24.9 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.59 118.12 35.77 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.138 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.2 m -130.99 133.24 45.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -112.17 110.97 21.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.096 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -104.7 135.37 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.133 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 67' ' ' GLY . 45.1 m-20 -77.51 121.9 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.724 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -71.53 -40.72 69.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -38.74 91.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.938 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -99.04 -27.39 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 74.21 12.93 81.63 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -110.85 148.34 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 111.149 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -67.45 139.07 21.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -115.89 -41.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -142.11 135.29 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.797 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 47.0 p-10 -151.23 104.9 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -144.75 142.66 30.19 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.764 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 tp -74.61 140.55 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.94 132.02 72.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.259 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CD2' HD22 ' A' ' 56' ' ' LEU . 25.0 m-85 -87.93 150.72 48.4 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.6 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.459 ' C ' ' H ' ' A' ' 79' ' ' ASP . 50.3 Cg_exo -54.15 142.21 67.34 Favored 'Trans proline' 0 N--CA 1.498 1.735 0 C-N-CA 121.814 1.676 . . . . 0.0 112.178 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 72.48 -17.92 0.36 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.163 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 77' ' ' PRO . 36.3 t0 -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.554 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.7 t -114.67 120.61 40.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.795 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -106.42 137.72 43.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -104.78 143.52 33.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.473 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -135.25 153.74 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.936 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -112.04 126.49 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.284 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 85' ' ' VAL . 33.5 m -115.3 91.19 27.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.08 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.36 119.52 4.2 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 122.419 2.079 . . . . 0.0 111.849 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.33 -36.63 7.54 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 90' ' ' SER . 11.3 p -136.75 151.6 72.82 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.05 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.19 -38.42 41.06 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 122.136 1.891 . . . . 0.0 112.512 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.434 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 40.7 t -103.01 127.88 50.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.67 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 123.51 149.89 7.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.498 ' NH2' ' OD2' ' A' ' 117' ' ' ASP . 86.6 mtm180 -132.89 132.52 42.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.503 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.53 148.91 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -140.87 159.64 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.317 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 105' ' ' LEU . 8.0 p -135.97 142.58 38.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.361 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -104.54 142.3 34.87 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.387 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.33 116.48 25.62 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.075 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.547 ' O ' ' N ' ' A' ' 102' ' ' SER . 41.1 m-85 -89.9 109.54 20.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.36 -10.95 59.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.801 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -93.79 -15.0 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.131 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.99 4.5 2.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 98' ' ' PHE . 25.8 m 49.3 32.32 4.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.831 0.348 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.441 ' HD3' HD21 ' A' ' 105' ' ' LEU . 24.4 ttmt -90.22 141.31 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -120.67 119.41 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.705 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 95' ' ' VAL . 89.4 mt -114.63 139.21 49.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.452 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -116.54 126.22 53.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.621 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -142.21 161.82 37.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.514 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.8 p-90 -144.38 155.91 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.531 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.9 mmm -77.11 62.76 2.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.947 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -8.31 7.43 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.028 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.31 148.91 78.27 Favored Pre-proline 0 N--CA 1.445 -0.683 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.405 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.09 -43.78 46.26 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 121.976 1.784 . . . . 0.0 112.999 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt 177.84 -172.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.506 ' C ' ' H ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -169.48 -18.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 179.697 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 61.29 -2.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' A' ' 114' ' ' THR . 95.7 mt-30 -136.41 27.34 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.313 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.498 ' OD2' ' NH2' ' A' ' 92' ' ' ARG . 65.9 t0 -59.13 -43.79 92.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.36 -46.16 87.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.96 -40.45 91.29 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 124' ' ' VAL . 2.3 m-70 -65.21 -46.72 79.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.79 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.61 -48.08 78.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -63.46 -45.01 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.755 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -41.92 94.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.2 t -63.7 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.452 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.4 -42.4 98.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.861 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.46 -41.74 88.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.924 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -61.43 -44.25 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 57' ' ' ILE . 3.4 tp -74.79 -24.17 58.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.58 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 58.5 t30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 N--CA 1.497 1.727 0 CA-C-O 120.645 0.186 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 943' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' B' ' 943' ' ' GLU . 56.6 mp0 -117.64 86.56 23.86 Favored Pre-proline 0 C--O 1.236 0.348 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 944' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 945' ' ' PRO . 51.3 Cg_exo -53.91 133.24 53.84 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.191 1.928 . . . . 0.0 113.089 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 945' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 944' ' ' PRO . 50.4 Cg_exo -48.43 -175.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.679 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -119.67 149.27 47.88 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.116 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.04 128.32 21.88 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.021 1.814 . . . . 0.0 113.039 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 948' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 23.3 p90 -153.27 145.91 24.24 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 949' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' B' ' 949' ' ' GLU . 34.2 mp0 -86.36 132.14 34.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.813 0.339 . . . . 0.0 111.152 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.53 111.65 23.69 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.244 0.545 . . . . 0.0 110.203 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 951' ' ' ILE . . . . . 0.535 ' O ' HG23 ' B' ' 951' ' ' ILE . 18.2 tt -130.46 120.0 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.148 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.49 81.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.209 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 953' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 25' ' ' GLU . 3.8 m-30 -87.08 94.92 9.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.5 tp -100.16 -43.71 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.275 0.559 . . . . 0.0 109.869 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.0 t -139.51 135.32 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' OE1' ' CD2' ' A' ' 22' ' ' TYR . 8.8 pt-20 -164.03 149.35 10.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE2' ' OE1' ' A' ' 111' ' ' GLU . 2.8 t80 -171.85 150.09 2.57 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.692 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -75.33 155.0 37.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.21 156.14 30.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.195 0.522 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 141.61 16.62 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.188 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -100.42 163.1 12.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.421 ' SD ' HG11 ' A' ' 93' ' ' VAL . 80.4 mtp -113.69 140.66 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.503 ' OG ' ' NZ ' ' A' ' 34' ' ' LYS . 25.2 t -77.75 122.98 26.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -111.57 121.77 46.03 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.992 0.425 . . . . 0.0 110.957 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.503 ' NZ ' ' OG ' ' A' ' 32' ' ' SER . 5.0 ptpt -153.42 139.15 17.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.475 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.27 3.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.57 64.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.57 0.7 . . . . 0.0 109.514 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m -151.39 106.39 3.29 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.822 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.9 t -95.92 106.48 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.351 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -127.24 158.71 68.43 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.43 126.96 20.49 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 121.61 1.54 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -85.09 143.67 28.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.09 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.38 -9.35 59.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -87.55 126.07 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.798 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -85.84 152.86 22.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.36 163.72 25.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 47' ' ' VAL . 4.4 tt -125.88 134.35 51.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.805 0.336 . . . . 0.0 110.44 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.797 ' N ' HD23 ' A' ' 46' ' ' LEU . 97.0 t -99.69 120.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.323 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.676 ' CD1' HD22 ' A' ' 46' ' ' LEU . 6.1 m-85 -120.13 124.97 47.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.363 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.53 HG23 HG23 ' A' ' 57' ' ' ILE . 77.7 mt -129.0 130.95 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.182 0.515 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -145.53 138.79 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.614 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -94.14 129.53 40.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -78.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -179.37 -22.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.54 26.96 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m 70.9 26.09 3.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 57' ' ' ILE . 85.5 mt -109.25 136.85 48.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.53 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -103.6 133.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.183 0.516 . . . . 0.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -98.81 110.26 22.89 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.48 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -94.58 116.89 29.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.126 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -122.51 130.83 53.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.476 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -112.17 110.31 20.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HG3' HG12 ' A' ' 69' ' ' VAL . 45.3 mttt -103.18 147.33 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.02 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 67' ' ' GLY . 7.8 m-20 -96.98 124.48 40.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.504 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -66.78 -40.59 88.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.076 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.1 m -65.0 -45.47 85.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.7 m -86.55 -29.16 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.087 0.47 . . . . 0.0 110.152 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.13 16.36 75.03 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -122.71 163.78 19.5 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.121 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG12 ' HG3' ' A' ' 62' ' ' LYS . 29.0 m -75.27 126.21 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.04 -40.46 9.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.69 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -151.73 138.64 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 51.8 p-10 -150.74 131.18 13.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.33 151.05 16.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.993 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.0 mt -81.83 134.83 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.64 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.07 125.16 74.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.006 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -71.26 152.67 94.37 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.198 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 24.5 Cg_endo -62.52 140.48 81.93 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 121.486 1.457 . . . . 0.0 111.083 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 7.2 t0 76.65 -13.82 0.89 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.43 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -87.42 77.31 8.9 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.198 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 79' ' ' ASP . 0.8 OUTLIER 171.25 97.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.378 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.3 tm-20 -82.27 131.99 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.463 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.6 p90 -115.67 134.56 54.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.945 0.402 . . . . 0.0 110.6 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -143.38 167.66 21.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.56 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -114.83 145.55 42.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.562 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.31 91.05 31.55 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 108.36 0.55 Allowed 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.909 1.74 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CG ' ' B' ' 948' ' ' PHE . 91.7 mm-40 -113.49 -26.12 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -149.75 152.91 35.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.65 -22.74 70.13 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.409 2.073 . . . . 0.0 112.019 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.1 t -114.82 112.46 22.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.05 163.96 37.87 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -164.61 167.56 19.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 110.61 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.421 HG11 ' SD ' ' A' ' 31' ' ' MET . 27.5 m -119.18 155.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.81 143.18 34.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 95' ' ' VAL . 6.1 p -123.58 130.45 74.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 81' ' ' GLU . 1.3 mm? -110.53 121.23 44.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.209 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.99 128.05 55.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.367 0.417 . . . . 0.0 110.103 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CE1' ' NZ ' ' A' ' 103' ' ' LYS . 66.3 m-85 -87.42 119.48 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -64.8 -35.57 81.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.167 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.35 70.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.78 -148.09 7.27 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 p -142.27 11.85 1.95 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.839 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.424 ' NZ ' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -82.23 154.39 25.44 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.678 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.439 ' NE ' ' OH ' ' B' ' 950' ' ' TYR . 0.0 OUTLIER -133.82 137.96 45.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.127 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 107' ' ' PHE . 1.1 mm? -116.16 149.85 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -115.1 115.62 27.08 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.257 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 105' ' ' LEU . 65.1 m-85 -137.22 152.47 49.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.212 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.461 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 4.3 p-90 -149.61 155.75 40.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.43 ' O ' ' CG2' ' A' ' 114' ' ' THR . 0.0 OUTLIER -71.65 62.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.207 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.56 -23.63 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.504 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 114' ' ' THR . 87.9 tt0 -46.55 124.24 7.5 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.88 -25.87 16.76 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.503 2.135 . . . . 0.0 113.393 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 115' ' ' ASP . 25.1 mtpp -61.97 -45.05 95.35 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.418 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' GLU . 1.9 p 22.02 40.86 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.066 0.854 . . . . 0.0 111.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 113' ' ' LYS . 97.8 m-20 -101.53 -28.56 12.47 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -122.15 27.13 8.16 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.131 0.491 . . . . 0.0 110.146 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 34.7 p-10 -58.88 -38.47 78.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.88 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 98.9 mt-10 -65.36 -41.87 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.41 -40.47 81.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 124' ' ' VAL . 47.7 m-70 -64.05 -42.69 96.96 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.776 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 118' ' ' GLU . 22.3 p -69.76 -37.19 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.919 0.39 . . . . 0.0 110.277 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ARG . . . . . 0.409 ' N ' ' SG ' ' A' ' 121' ' ' CYS . 24.0 mmt180 -73.1 -41.77 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.099 0.476 . . . . 0.0 110.184 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -67.79 -43.59 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.904 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 120' ' ' HIS . 33.0 m -69.53 -37.81 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.452 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.41 ' N ' HG23 ' A' ' 124' ' ' VAL . 45.0 t30 -61.58 -44.22 97.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.017 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.96 -44.11 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.03 -42.3 89.79 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.424 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.401 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 tp -75.66 -29.57 59.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 110.604 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.562 -179.865 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 N--CA 1.496 1.634 0 CA-C-O 120.867 0.278 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 943' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' B' ' 943' ' ' GLU . 0.8 OUTLIER -100.06 108.08 50.24 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.595 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 944' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 945' ' ' PRO . 83.9 Cg_exo -50.69 131.25 32.89 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.075 1.85 . . . . 0.0 112.369 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 945' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 944' ' ' PRO . 52.3 Cg_exo -48.72 -177.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.812 1.675 . . . . 0.0 112.193 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 946' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' B' ' 946' ' ' GLU . 40.3 mp0 -114.75 150.7 44.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.592 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.44 131.96 43.57 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.052 1.834 . . . . 0.0 112.803 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 948' ' ' PHE . . . . . 0.525 ' CG ' ' OE1' ' A' ' 87' ' ' GLN . 42.6 p90 -149.16 159.92 43.82 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -92.61 123.25 35.77 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.303 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 950' ' ' TYR . . . . . 0.439 ' OH ' ' NE ' ' A' ' 104' ' ' ARG . 23.4 t80 -94.78 96.8 9.61 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.689 0.756 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 951' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.8 mt -121.68 127.74 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-N 114.225 -1.352 . . . . 0.0 108.939 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -65.29 80.45 0.05 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.858 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 953' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.1 t0 . . . . . 0 C--O 1.221 -0.446 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.611 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.818 0.342 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -114.86 124.05 50.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.319 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.81 -62.91 1.37 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.049 0.452 . . . . 0.0 110.055 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.591 HG23 ' HB ' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -141.08 118.01 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.439 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 20.6 pm0 -140.7 143.01 34.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.779 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER 179.59 173.84 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.417 ' HA ' HD12 ' A' ' 46' ' ' LEU . 16.0 mtm-85 -88.64 164.25 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.426 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.76 159.23 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.67 144.38 17.92 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -92.08 -171.75 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.597 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.472 ' CE ' HG12 ' A' ' 38' ' ' VAL . 62.7 mtp -130.71 137.84 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.379 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.7 108.65 9.87 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 106' ' ' PHE . 35.9 tp -104.26 103.67 13.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.393 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 21.9 mtmt -140.04 136.24 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.688 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' ' 36' ' ' THR . . . 39.44 56.26 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' GLY . 5.5 p 49.37 63.53 2.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 -178.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 39' ' ' THR . 17.1 m -146.63 109.09 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.562 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CE ' ' A' ' 31' ' ' MET . 17.1 t -101.64 102.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.671 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 37' ' ' THR . 0.1 OUTLIER -127.16 161.21 55.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 123.328 0.392 . . . . 0.0 110.297 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.97 123.28 13.48 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.386 2.057 . . . . 0.0 112.469 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -71.42 129.04 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.616 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -64.35 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.496 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -80.56 146.19 31.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -102.7 137.57 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.1 160.86 13.0 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 27' ' ' ARG . 25.4 tp -117.74 120.69 38.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.665 0.269 . . . . 0.0 110.292 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -92.39 116.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -130.28 121.62 26.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.689 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.591 ' HB ' HG23 ' A' ' 24' ' ' VAL . 49.0 mt -131.67 130.8 62.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -128.92 134.11 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.286 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -89.73 129.14 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.558 ' OG1' ' NE2' ' A' ' 50' ' ' GLN . 2.0 m -134.03 143.89 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.222 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.73 -21.68 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.402 ' H ' HG22 ' A' ' 52' ' ' THR . 71.6 m-20 -104.08 5.33 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -155.92 14.46 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.067 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 76' ' ' PHE . 16.2 mt 54.94 -151.89 0.37 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.5 mp -87.47 126.18 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -101.21 114.64 28.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -94.6 120.86 35.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.2 t -127.03 130.3 49.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -120.87 111.59 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.297 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.1 mtpp -110.19 156.38 20.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.611 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 67' ' ' GLY . 35.0 p30 -97.07 125.19 41.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.687 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -66.67 -29.08 69.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.078 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -67.41 -29.71 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.05 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.436 ' OG ' ' OD1' ' A' ' 63' ' ' ASP . 1.1 p -116.22 -20.92 9.61 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.85 18.4 72.41 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -114.52 154.0 29.02 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 111.293 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.26 134.22 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.378 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.83 -36.68 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.508 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -166.29 132.13 2.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 49.1 p-10 -136.43 130.67 33.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.605 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.6 mt -143.4 148.4 36.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.294 0.569 . . . . 0.0 110.496 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -84.51 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.355 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.62 HG21 HD12 ' A' ' 128' ' ' LEU . 4.4 mm -113.55 124.02 69.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.265 0.555 . . . . 0.0 110.355 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' HA ' HD13 ' A' ' 56' ' ' LEU . 89.0 m-85 -75.75 149.02 82.95 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.391 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 41.7 Cg_endo -67.38 64.73 0.74 Allowed 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.595 2.196 . . . . 0.0 112.149 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 163.57 -19.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 67.1 t0 -96.42 98.81 10.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.649 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 165.86 99.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.446 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -107.9 128.76 54.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.282 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -109.43 137.55 47.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -124.26 147.26 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -118.15 133.41 55.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 85' ' ' VAL . 10.1 m -115.2 89.41 20.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.875 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -83.51 83.49 1.83 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -102.46 -11.68 18.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.65 150.61 60.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.81 -20.92 58.53 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.539 2.16 . . . . 0.0 112.249 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.5 t -137.99 146.28 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.74 40.66 4.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.12 141.9 58.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.258 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.5 m -128.91 156.95 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -117.27 137.4 52.43 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.1 t -118.69 121.71 67.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.01 134.65 41.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.565 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -124.81 129.5 50.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 101' ' ' GLY . 54.9 m-85 -87.24 119.78 27.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -65.58 -31.21 72.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.88 -23.46 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 98' ' ' PHE . . . -146.36 -152.07 5.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 p -122.21 14.62 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.596 ' CB ' ' NZ ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -65.24 132.97 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.546 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.3 129.59 55.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 mt -115.33 133.69 55.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.348 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.456 ' CZ ' HD22 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -125.94 124.2 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -156.52 167.59 29.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.481 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 8.7 p-90 -145.03 159.54 42.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 61.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.81 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.584 HE21 ' C ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -65.29 -12.57 53.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.915 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -61.95 148.27 88.4 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.253 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.64 -24.07 63.02 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.495 2.13 . . . . 0.0 112.472 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -83.13 93.06 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.06 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -107.35 16.4 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.909 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.82 -4.22 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -136.11 23.06 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.345 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.4 -41.01 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -69.37 -40.49 77.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.13 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 124' ' ' VAL . 21.5 t-80 -65.27 -46.18 81.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.426 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.6 t -61.33 -47.22 86.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.49 -45.37 76.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.81 -44.61 89.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.0 t -63.51 -44.26 98.67 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.404 ' HA ' HD21 ' A' ' 125' ' ' ASN . 10.0 m120 -63.76 -40.24 96.21 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.739 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.49 -44.6 93.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.904 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -65.0 -44.01 90.64 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.192 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.62 HD12 HG21 ' A' ' 75' ' ' ILE . 4.0 mm? -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.425 -179.662 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 N--CA 1.496 1.642 0 CA-C-O 120.576 0.157 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -94.63 112.94 59.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.421 -0.511 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.3 150.6 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.699 1.599 . . . . 0.0 113.277 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.01 -176.57 1.32 Allowed 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.955 2.436 . . . . 0.0 111.601 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -118.25 151.8 49.8 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.83 128.78 27.99 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.244 1.963 . . . . 0.0 112.576 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 948' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 30.7 p90 -148.43 150.73 33.99 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.564 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -86.07 125.4 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.821 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -88.25 109.77 20.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.193 0.52 . . . . 0.0 110.252 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 951' ' ' ILE . . . . . 0.593 ' O ' HG23 ' B' ' 951' ' ' ILE . 17.9 tt -134.79 117.08 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.171 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 952' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 53.1 p-10 -58.02 81.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.679 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 953' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' B' ' 951' ' ' ILE . 59.2 p30 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.677 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.788 0.327 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -80.8 101.15 9.17 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.431 HD12 ' H ' ' A' ' 51' ' ' GLN . 92.0 mt -79.83 -44.65 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.697 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.8 t -130.12 129.49 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -159.78 141.89 13.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 52.6 p90 -159.44 159.14 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -83.29 149.02 27.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.406 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.66 149.14 26.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.228 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -107.58 141.89 15.73 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 173.93 7.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.5 mtp -124.67 141.75 51.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -77.13 142.75 39.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.472 HD21 HG22 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -123.32 118.25 27.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.834 0.35 . . . . 0.0 110.607 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' GLY . 40.8 mttt -144.9 125.1 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 30.73 66.91 0.13 Allowed Glycine 0 N--CA 1.469 0.886 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p 50.16 63.63 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.164 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.5 m -149.1 123.17 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 HD21 ' A' ' 33' ' ' LEU . 61.8 t -116.73 120.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 123.137 0.273 . . . . 0.0 111.022 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.81 161.33 46.66 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.549 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.33 122.67 12.2 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.044 1.83 . . . . 0.0 111.928 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.18 143.26 35.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.481 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -71.57 -27.48 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.705 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -75.7 146.64 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.18 134.28 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.987 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.83 146.14 17.02 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.1 tp -115.97 124.78 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.676 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 65.0 t -98.98 116.31 41.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -120.58 123.62 43.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.316 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.504 HG23 HG23 ' A' ' 57' ' ' ILE . 78.7 mt -124.68 129.2 73.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.036 0.446 . . . . 0.0 110.749 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -135.61 134.51 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.381 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.431 ' H ' HD12 ' A' ' 23' ' ' LEU . 51.0 tt0 -98.79 125.7 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.2 p -87.88 171.46 10.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -75.1 -0.91 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.759 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -95.64 8.73 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 69.54 26.4 5.11 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 mt -116.58 137.43 52.18 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.699 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.504 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -98.58 131.93 44.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 121.047 0.451 . . . . 0.0 110.563 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -98.55 115.44 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.729 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.43 117.69 34.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.264 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.6 t -125.37 125.32 43.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.324 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.548 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 80.6 t90 -117.37 109.92 17.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.669 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -114.44 147.52 39.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.585 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.6 m-20 -79.62 101.01 8.09 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.876 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -51.55 -29.72 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.86 0.362 . . . . 0.0 110.427 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 -44.93 96.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -104.59 -16.17 15.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.68 15.8 69.17 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -101.65 137.7 39.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -65.23 135.8 27.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 10.3 mm-40 -115.6 -41.15 3.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.826 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 70' ' ' GLU . 7.5 m-20 -143.46 135.2 26.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.675 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 45.1 p-10 -152.67 117.8 5.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 tp -155.59 144.69 20.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.945 0.403 . . . . 0.0 110.067 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.0 mt -76.29 138.14 21.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.64 124.48 73.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 78' ' ' ASP . 79.9 m-85 -78.3 124.27 85.71 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.069 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 67.1 Cg_exo -44.15 82.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.02 1.813 . . . . 0.0 112.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER 163.94 -24.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.75 179.521 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 99.0 m-20 -103.87 104.16 14.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 161.78 96.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.097 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 96' ' ' LEU . 37.7 tt0 -105.58 135.04 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.208 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -111.83 147.59 35.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.838 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -135.49 149.08 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.7 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -112.83 129.28 56.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.143 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -114.39 91.44 24.18 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.473 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -83.09 84.51 1.72 Allowed 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 122.518 2.145 . . . . 0.0 112.441 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.81 -30.88 16.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 91.0 m -134.34 148.62 68.45 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.767 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.64 -23.5 49.21 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.424 2.083 . . . . 0.0 112.263 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.408 ' OG ' ' OE2' ' B' ' 943' ' ' GLU . 29.7 t -101.2 127.1 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.893 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.56 162.67 38.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -135.91 134.14 38.4 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.176 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.4 t -124.15 128.64 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.19 145.34 45.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.36 131.64 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.478 HD11 ' SG ' ' A' ' 80' ' ' CYS . 0.2 OUTLIER -104.89 117.31 33.72 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.602 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -105.84 118.11 35.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.582 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -90.38 96.75 10.81 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -62.5 -19.51 63.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.59 66.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.005 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.46 6.63 3.92 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 98' ' ' PHE . 34.8 m 54.82 46.72 23.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.59 0.233 . . . . 0.0 110.81 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.41 ' HD2' HD23 ' A' ' 105' ' ' LEU . 1.7 ttmt -110.74 138.72 46.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.657 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -114.15 135.21 54.28 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.717 HD12 ' CE1' ' A' ' 107' ' ' PHE . 0.4 OUTLIER -125.91 150.07 48.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 179.467 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.0 127.44 55.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.893 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 105' ' ' LEU . 53.8 m-85 -151.8 157.48 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.518 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 5.6 p-90 -148.49 158.46 44.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.58 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mmm -70.33 59.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.775 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.411 ' CG ' ' CH2' ' A' ' 108' ' ' TRP . 19.9 tm0? -65.72 -17.71 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.76 149.17 80.76 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.546 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.85 -37.01 76.42 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.078 1.852 . . . . 0.0 112.665 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -69.92 97.62 1.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.549 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.7 t -121.46 7.7 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.378 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.01 -5.79 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.83 27.1 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.053 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 18.2 p-10 -62.33 -37.17 84.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.13 -43.95 96.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.323 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.83 -41.25 92.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 124' ' ' VAL . 59.1 m-70 -63.69 -44.69 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 92.8 m -65.71 -42.1 91.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -63.91 -43.89 94.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.79 80.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.1 t -63.24 -41.84 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.61 -41.05 98.77 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.76 -45.06 95.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.872 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.94 -45.26 93.2 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.917 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.87 -30.36 65.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.76 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 65.4 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.789 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo . . . . . 0 N--CA 1.491 1.329 0 CA-C-O 120.618 0.174 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 943' ' ' GLU . . . . . 0.408 ' OE2' ' OG ' ' A' ' 90' ' ' SER . 87.2 tt0 -123.36 84.57 52.22 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.054 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.08 142.53 94.23 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.9 -177.54 3.23 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.543 2.162 . . . . 0.0 111.759 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.07 153.42 42.56 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.062 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.74 128.74 19.19 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.68 1.587 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -149.49 148.78 29.81 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -85.88 135.75 33.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.958 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 950' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' B' ' 950' ' ' TYR . 3.1 t80 -99.16 96.28 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.468 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 951' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.9 mt -124.96 126.0 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.939 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.79 81.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.225 0.536 . . . . 0.0 109.968 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 953' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.663 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.735 0.302 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.78 109.09 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.524 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' ' 51' ' ' GLN . 90.3 mt -96.94 -48.86 5.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.377 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.81 122.85 53.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.004 0.431 . . . . 0.0 109.936 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -146.67 126.14 13.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.461 ' HE1' ' HE2' ' A' ' 120' ' ' HIS . 0.9 OUTLIER -161.86 -166.81 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.49 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -109.24 156.37 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.418 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.05 140.56 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.62 132.09 10.97 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -86.09 -169.96 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.771 0.32 . . . . 0.0 110.548 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 24.9 mtp -126.84 144.63 50.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.4 t -82.26 121.87 27.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.167 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -108.37 109.39 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.051 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -146.55 128.74 15.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.65 60.03 1.25 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 49.57 62.34 2.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 109.973 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -145.96 125.71 13.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.149 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.43 107.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.806 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 168.81 15.64 Favored Pre-proline 0 N--CA 1.451 -0.38 0 O-C-N 123.82 0.7 . . . . 0.0 110.515 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.44 127.19 24.3 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.641 2.228 . . . . 0.0 112.071 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -82.03 108.48 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.421 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -56.52 -20.8 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -87.12 99.88 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.245 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -78.84 140.72 38.12 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.453 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.85 178.34 16.54 Favored Glycine 0 N--CA 1.46 0.266 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.2 129.99 52.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.814 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 47' ' ' VAL . 14.9 p -98.72 118.07 44.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.593 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 1.4 t80 -126.82 122.63 35.28 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.446 ' CG2' HG23 ' A' ' 57' ' ' ILE . 48.7 mt -126.29 136.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -138.16 144.72 40.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.838 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.586 ' H ' HD12 ' A' ' 23' ' ' LEU . 1.5 tt0 -89.5 127.12 35.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 53' ' ' ASP . 22.2 m -87.97 157.68 18.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.439 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 55' ' ' SER . 94.5 m-20 -59.37 -37.88 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.8 m-20 -61.63 -0.94 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.547 ' C ' HD12 ' A' ' 56' ' ' LEU . 3.0 p 83.02 18.31 0.26 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.729 HD21 ' CE2' ' A' ' 76' ' ' PHE . 11.2 mp -108.38 149.45 28.7 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.592 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.649 HG21 HD21 ' A' ' 128' ' ' LEU . 1.4 mp -100.6 129.13 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 0.0 110.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.6 117.92 30.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.557 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.435 ' HB2' HD12 ' A' ' 75' ' ' ILE . 74.7 t80 -98.61 113.68 25.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.441 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.7 m -121.71 125.37 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.527 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 81.2 t90 -125.07 113.76 18.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.103 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 156.47 23.6 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.062 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.2 m-20 -86.59 130.52 34.46 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -68.97 -38.57 79.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.8 m -63.33 -44.24 95.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.8 m -94.23 -29.13 15.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 72.16 16.03 76.81 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -108.98 157.17 18.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.703 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 69' ' ' VAL . 21.8 m -81.8 130.15 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.57 -35.21 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.49 123.25 21.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.405 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.27 113.22 4.5 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.371 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.6 tp -154.99 148.9 25.68 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 110.395 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.481 HG21 HD23 ' A' ' 56' ' ' LEU . 87.4 mt -74.95 139.1 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.435 HD12 ' HB2' ' A' ' 59' ' ' PHE . 82.8 mt -123.59 125.35 71.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.729 ' CE2' HD21 ' A' ' 56' ' ' LEU . 49.0 m-85 -75.68 151.26 84.73 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 19.0 Cg_endo -59.24 132.89 49.3 Favored 'Trans proline' 0 C--N 1.3 -1.993 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.5 t70 79.7 -12.15 1.1 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -61.74 -46.24 90.49 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.893 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.34 124.12 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.634 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -107.72 149.54 28.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.502 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 82' ' ' PHE . 17.2 p90 -100.97 134.06 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -131.23 164.3 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -116.94 139.18 50.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.426 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.749 ' O ' HG13 ' A' ' 85' ' ' VAL . 10.4 p -115.69 90.72 27.46 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.118 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.83 102.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.715 ' NE2' ' CZ ' ' B' ' 948' ' ' PHE . 59.8 mt-30 -102.58 -45.92 4.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.403 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -154.55 156.02 31.19 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.346 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 17.8 Cg_endo -59.27 -35.09 97.87 Favored 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 122.901 2.401 . . . . 0.0 112.479 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.555 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 88.1 p -105.27 6.2 32.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.729 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.616 ' N ' ' SG ' ' A' ' 88' ' ' CYS . . . -133.16 133.3 6.93 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -140.48 154.46 46.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 94' ' ' TYR . 49.9 t -137.34 154.94 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.428 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 96.1 m-85 -103.36 138.06 40.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.446 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.4 t -127.62 126.1 66.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.689 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.9 mt -106.68 138.66 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -125.6 131.43 52.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -89.82 111.66 22.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -26.01 67.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.7 67.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -145.01 -127.89 2.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 m -146.79 19.75 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -71.41 140.58 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.99 130.42 52.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.366 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 106' ' ' PHE . 2.0 tt -119.39 118.73 31.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.616 ' N ' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -110.64 126.08 54.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -154.85 171.78 19.07 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.554 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.4 p-90 -140.04 155.42 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.45 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.08 64.94 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 111.15 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -63.62 -4.93 3.33 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.207 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -60.07 147.58 80.05 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.436 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 -41.03 64.97 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.43 102.42 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.705 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -112.1 1.02 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.12 -15.91 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -117.98 15.55 14.23 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 47.3 p-10 -63.06 -32.28 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 88.8 tt0 -63.31 -47.35 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.8 -41.61 97.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.461 ' HE2' ' HE1' ' A' ' 26' ' ' PHE . 62.5 m80 -64.36 -44.19 92.18 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.62 -40.59 88.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -71.43 -40.48 70.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -69.04 -43.25 75.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -31.92 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 129' ' ' ASN . 26.4 t-20 -65.55 -44.03 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.254 0.55 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.87 -43.47 98.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.631 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.06 -40.83 97.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.649 HD21 HG21 ' A' ' 57' ' ' ILE . 72.4 mt -83.07 -14.94 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 125' ' ' ASN . 25.4 t-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo . . . . . 0 N--CA 1.49 1.281 0 CA-C-O 120.694 0.206 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -93.22 118.06 67.62 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.656 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.07 155.41 52.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.63 2.22 . . . . 0.0 112.451 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.98 -177.64 1.71 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.978 2.452 . . . . 0.0 112.052 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.75 152.4 44.74 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-O 121.049 0.452 . . . . 0.0 110.611 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.37 128.22 24.26 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 122.911 2.407 . . . . 0.0 112.258 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 948' ' ' PHE . . . . . 0.715 ' CZ ' ' NE2' ' A' ' 87' ' ' GLN . 33.5 p90 -148.62 149.74 32.04 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.913 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.92 119.95 28.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -84.59 114.92 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 951' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 953' ' ' ASP . 8.3 tt -128.81 107.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 952' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 53.9 p-10 -53.03 80.84 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 953' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 951' ' ' ILE . 38.1 p30 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.527 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.9 tttp . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.729 0.299 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -118.79 111.11 18.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.101 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -55.03 3.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.656 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.536 HG11 HG22 ' A' ' 124' ' ' VAL . 60.5 t -120.67 126.33 75.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.206 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 3.2 pp20? -154.66 138.53 16.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 61.0 m-85 -160.62 166.45 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 99.7 mtt180 -91.37 152.48 20.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.29 152.84 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.04 138.38 14.92 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' NZ ' ' CE1' ' A' ' 106' ' ' PHE . 37.8 tttm -89.94 163.82 14.81 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.491 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -105.12 142.19 35.34 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.155 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.9 m -76.99 129.95 36.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.08 109.88 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -143.46 126.52 16.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.22 65.41 0.6 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 p 44.67 63.25 1.75 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.132 0.492 . . . . 0.0 110.008 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 m -149.01 114.25 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.291 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.29 114.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.77 162.41 52.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.62 121.37 9.91 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.002 1.801 . . . . 0.0 112.157 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -96.84 145.94 25.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.67 -8.03 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.601 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -73.21 109.35 6.68 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.377 0.608 . . . . 0.0 110.786 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -83.29 132.99 35.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.815 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.06 152.05 17.97 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -114.19 126.1 54.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -98.46 118.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.687 0.279 . . . . 0.0 111.065 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.13 121.77 36.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.239 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.7 mt -134.48 135.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.567 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -144.8 138.82 27.37 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.639 178.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -107.75 128.73 54.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.694 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 164.56 12.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.485 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.28 -2.27 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.0 t0 -70.86 -12.32 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.577 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER 85.97 47.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.133 0.492 . . . . 0.0 110.053 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.99 155.49 6.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mt -115.39 137.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -97.2 123.07 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.767 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -105.72 118.14 35.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.729 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -124.96 132.02 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.557 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.491 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 37.3 t90 -124.82 110.46 14.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 109.884 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -112.79 137.89 50.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.068 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 67' ' ' GLY . 98.0 m-20 -83.28 124.58 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.401 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 78.8 mtp180 -70.28 -36.38 74.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -62.81 -38.12 89.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.781 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.8 p -103.7 -23.69 13.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.601 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 69.31 15.94 70.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.84 142.77 42.43 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -67.9 131.91 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.95 -40.52 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -137.94 125.93 22.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.54 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -150.92 108.28 3.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 73' ' ' LEU . 10.4 tp -154.99 150.11 26.99 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 110.025 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.2 mt -72.43 144.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.77 122.23 67.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.403 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -98.19 150.27 36.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.519 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.43 ' O ' ' OD1' ' A' ' 79' ' ' ASP . 76.3 Cg_exo -48.75 145.55 12.74 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.057 1.838 . . . . 0.0 111.944 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 77.72 -16.93 0.61 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.774 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 77' ' ' PRO . 1.8 m-20 -100.07 81.81 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.441 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 171.05 82.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.267 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -99.53 129.49 45.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.065 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -110.22 147.35 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.38 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.75 144.13 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.92 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.3 ptt85 -119.63 138.14 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.21 90.35 23.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.452 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.13 84.01 1.81 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.628 2.218 . . . . 0.0 112.281 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -90.13 -40.65 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.54 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.5 p -162.08 147.08 9.99 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.33 -13.05 38.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.659 2.24 . . . . 0.0 112.168 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -60.51 -40.36 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.39 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.62 149.22 20.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.68 145.21 51.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.02 148.09 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.527 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.62 142.72 46.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -118.13 126.64 75.1 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -109.33 129.6 55.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.2 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -115.34 111.22 20.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 109.973 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.547 ' O ' ' N ' ' A' ' 102' ' ' SER . 94.2 m-85 -91.98 117.17 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -70.89 -25.23 62.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.34 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.54 -2.26 8.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 98' ' ' PHE . 50.9 m 48.07 53.83 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.269 . . . . 0.0 110.464 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -128.43 150.84 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.593 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -110.44 119.37 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.635 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tp -103.82 127.35 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.501 ' CE1' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -110.49 115.48 29.71 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.721 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -154.69 164.48 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 110' ' ' GLN . 6.0 p-90 -142.14 160.55 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.97 63.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.489 0.661 . . . . 0.0 110.463 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 108' ' ' TRP . 21.7 tm0? -62.86 -17.22 61.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.757 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.436 ' HG2' ' H ' ' A' ' 113' ' ' LYS . 76.7 tt0 -56.18 132.92 75.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.085 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.68 -16.28 51.89 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 122.26 1.973 . . . . 0.0 113.123 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.436 ' H ' ' HG2' ' A' ' 111' ' ' GLU . 11.3 mmtm -90.0 97.16 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.11 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.6 p -118.16 33.91 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.914 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.56 -15.79 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.255 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.74 26.0 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.166 0.508 . . . . 0.0 110.416 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.83 -40.44 92.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.364 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.28 -44.56 91.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.818 0.342 . . . . 0.0 110.634 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -68.91 -42.34 77.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.688 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.606 ' O ' HG23 ' A' ' 124' ' ' VAL . 7.2 m-70 -66.11 -42.54 89.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.94 -48.54 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -66.86 -40.66 87.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.502 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -64.85 -43.65 92.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.684 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 120' ' ' HIS . 66.8 t -65.63 -45.22 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.682 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.425 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.61 -42.03 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -69.16 -36.33 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.962 0.41 . . . . 0.0 110.632 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.31 -43.45 64.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.444 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.233 0.23 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.434 -178.692 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 942' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' B' ' 943' ' ' GLU . 60.1 Cg_endo . . . . . 0 N--CA 1.498 1.779 0 CA-C-O 119.543 -0.274 . . . . 0.0 111.721 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 943' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 942' ' ' PRO . 9.2 mm-40 6.18 73.09 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.743 0 O-C-N 124.117 0.886 . . . . 0.0 111.283 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.88 142.27 98.25 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.159 1.906 . . . . 0.0 112.597 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.87 -177.18 2.41 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.528 2.152 . . . . 0.0 111.36 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -128.12 150.38 73.69 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.514 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.08 128.71 30.1 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.909 1.739 . . . . 0.0 112.716 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 948' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 24.9 p90 -152.24 144.84 24.2 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.16 132.7 34.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 0.0 111.114 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -97.47 111.14 23.53 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.344 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 951' ' ' ILE . . . . . 0.55 ' O ' HG23 ' B' ' 951' ' ' ILE . 21.4 tt -132.38 122.57 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.614 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -56.26 81.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.43 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 953' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.5 m-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.637 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.863 0.363 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.18 122.6 26.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.352 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 23' ' ' LEU . 1.9 mm? -102.49 -62.69 1.24 Allowed 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -125.55 122.5 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.258 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 21.8 pt-20 -149.8 129.18 12.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 69.7 m-85 -154.79 167.92 28.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 2.4 mpt_? -86.34 156.26 20.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.67 144.63 20.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 110.583 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.16 145.64 16.31 Favored Glycine 0 N--CA 1.466 0.676 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.481 ' CE ' HD11 ' A' ' 105' ' ' LEU . 1.1 mmmp? -92.94 -174.67 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.593 0.235 . . . . 0.0 110.534 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.5 mtp -127.5 141.97 51.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.529 ' OG ' ' CE ' ' A' ' 34' ' ' LYS . 8.8 t -78.14 125.06 28.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.2 118.44 36.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.25 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.529 ' CE ' ' OG ' ' A' ' 32' ' ' SER . 8.1 ptpt -156.4 134.23 11.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.56 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 36.35 57.55 1.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 48.85 62.4 2.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.234 0.54 . . . . 0.0 109.844 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 m -146.88 121.53 9.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.238 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 t -113.26 116.93 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.719 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.87 172.14 6.83 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.615 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.88 127.91 28.07 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.587 2.191 . . . . 0.0 112.246 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -96.3 116.59 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -52.83 -23.88 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.37 129.15 37.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -110.57 143.81 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.45 175.53 17.8 Favored Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 tt -126.47 125.78 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.717 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.34 121.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.49 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -127.99 123.64 35.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 57' ' ' ILE . 76.6 mt -127.91 138.69 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.129 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.25 149.27 29.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -95.15 131.92 40.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -75.51 -153.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 179.621 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' H ' HG22 ' A' ' 52' ' ' THR . 97.2 m-20 -99.9 -16.18 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -98.37 15.27 25.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.606 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.23 23.41 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.291 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 57' ' ' ILE . 9.7 mp -100.1 133.18 44.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.651 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -94.98 127.27 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.455 ' NE2' ' OD1' ' A' ' 72' ' ' ASP . 7.1 t-160 -98.71 120.97 40.04 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.228 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -101.03 112.46 24.92 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t -121.39 130.59 53.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -124.04 112.2 16.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.512 ' HG2' HG12 ' A' ' 69' ' ' VAL . 12.0 mtpt -103.3 160.03 15.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.789 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' GLY . 97.7 m-20 -99.09 124.05 43.82 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -70.67 -29.22 65.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.929 0.395 . . . . 0.0 110.421 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.4 p -76.83 -30.04 56.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -106.82 -35.94 6.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 80.98 11.89 83.26 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -111.63 153.45 26.34 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.512 HG12 ' HG2' ' A' ' 62' ' ' LYS . 32.7 m -73.27 122.22 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.56 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -98.18 -39.73 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -139.32 128.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 14.6 t70 -152.07 112.16 4.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.35 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -147.57 144.73 28.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 120.879 0.371 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.99 141.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 79' ' ' ASP . 96.6 mt -120.47 124.69 73.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 78' ' ' ASP . 55.3 m-85 -89.53 141.7 28.92 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.971 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 51.4 Cg_exo -45.59 74.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.986 2.457 . . . . 0.0 112.601 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER 157.45 -35.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.815 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 75' ' ' ILE . 63.5 t0 -82.15 84.19 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER 162.26 102.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.719 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -106.17 127.76 53.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -110.52 140.3 44.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.381 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -138.7 162.36 34.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -117.99 140.51 49.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.411 HG23 ' HB ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -115.34 90.39 24.62 Favored Pre-proline 0 C--O 1.234 0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.226 179.225 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -50.63 103.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.609 2.206 . . . . 0.0 112.113 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.796 ' NE2' HG23 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -113.73 -41.41 3.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.678 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 91' ' ' GLY . 53.8 t -135.06 129.34 18.96 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -48.38 -34.51 25.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.575 2.184 . . . . 0.0 112.093 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -102.94 -2.44 27.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -138.81 129.42 4.47 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -131.63 135.11 46.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.328 . . . . 0.0 110.527 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.796 HG23 ' NE2' ' A' ' 87' ' ' GLN . 11.4 t -96.3 143.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -107.18 141.28 38.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.439 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.2 138.45 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.666 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 mt -112.05 130.24 55.94 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -114.53 117.21 30.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -89.93 117.34 28.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.151 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.04 -22.33 66.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.71 -30.15 56.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.456 ' C ' ' N ' ' A' ' 103' ' ' LYS . . . -119.56 -1.62 13.53 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.609 ' N ' ' O ' ' A' ' 98' ' ' PHE . 16.9 m 48.45 13.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.701 0.286 . . . . 0.0 110.362 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.456 ' N ' ' C ' ' A' ' 101' ' ' GLY . 6.8 pttt -81.78 158.66 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.4 ' HD2' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -124.32 111.91 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.324 0.39 . . . . 0.0 110.346 -179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD11 ' CE ' ' A' ' 30' ' ' LYS . 58.1 tp -94.1 130.29 40.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -110.24 127.97 55.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -154.65 164.03 39.35 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.401 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.546 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.7 p-90 -133.77 153.43 51.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 mmm -69.28 63.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -9.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.248 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.38 144.8 91.58 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.99 -20.98 50.35 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.853 2.368 . . . . 0.0 112.332 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -92.32 74.53 5.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 114' ' ' THR . 2.2 t -96.5 0.55 50.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.94 -24.66 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.47 26.57 10.12 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.13 -40.84 86.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -70.5 -46.06 64.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.53 -39.97 88.89 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.842 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.55 ' O ' HG23 ' A' ' 124' ' ' VAL . 58.3 t-80 -61.9 -48.24 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -63.62 -45.18 91.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -64.33 -44.93 90.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -63.15 -43.43 98.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.415 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.1 t -62.97 -42.88 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.011 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -66.64 -37.8 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.967 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.59 -46.63 89.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.566 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -66.16 -43.42 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 57' ' ' ILE . 45.0 mt -65.19 -40.34 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.53 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 N--CA 1.491 1.368 0 CA-C-O 120.566 0.153 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 943' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' B' ' 943' ' ' GLU . 39.2 mp0 -116.58 94.37 43.15 Favored Pre-proline 0 C--O 1.233 0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.88 150.23 30.86 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.736 2.29 . . . . 0.0 112.294 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.38 -178.57 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.986 2.457 . . . . 0.0 112.124 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -114.5 149.14 41.71 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.681 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.63 129.36 23.39 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.505 2.137 . . . . 0.0 112.266 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.95 146.82 26.52 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.06 130.19 34.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -96.21 107.9 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.361 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 951' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.9 tt -132.53 120.11 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.24 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -48.45 81.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.139 0.495 . . . . 0.0 110.974 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 953' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.8 p-10 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.483 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.803 0.335 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.64 118.03 33.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -104.11 -50.02 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.313 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.666 HG11 HG22 ' A' ' 124' ' ' VAL . 60.3 t -133.42 127.53 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.992 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 26.0 pt-20 -162.91 140.43 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER 178.95 173.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -80.54 160.39 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.476 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.72 158.42 35.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.288 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.59 126.73 7.39 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -93.9 -167.48 1.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.728 0.299 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.673 ' HE2' HG12 ' A' ' 38' ' ' VAL . 80.4 mtp -134.2 143.57 47.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.179 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' THR . 49.7 m -76.5 140.51 41.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 33' ' ' LEU . 27.6 tp -124.28 109.19 13.06 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' GLY . 38.2 mtmt -132.29 129.04 39.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.989 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 32.17 64.49 0.24 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.4 64.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.202 0.525 . . . . 0.0 109.65 -177.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 m -151.31 105.46 3.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.641 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.673 HG12 ' HE2' ' A' ' 31' ' ' MET . 16.1 t -97.93 117.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.676 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -139.38 167.63 18.16 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 179.732 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.01 131.25 43.55 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.823 1.682 . . . . 0.0 112.739 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -92.67 114.9 27.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.301 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.67 -20.0 64.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -88.77 121.74 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.423 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -85.34 150.66 24.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.415 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -120.97 171.38 14.8 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tp -116.32 116.83 28.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.36 118.73 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.42 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 25' ' ' GLU . 2.5 m-85 -125.56 122.48 36.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.341 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.45 HG23 HG23 ' A' ' 57' ' ' ILE . 57.9 mt -130.78 132.5 64.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.06 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.24 149.26 39.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.463 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -105.7 131.26 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -105.41 153.98 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.98 -10.92 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.427 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -73.88 1.36 10.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.633 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 71.82 48.92 0.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 pp -160.92 142.59 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.03 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.45 HG23 HG23 ' A' ' 49' ' ' ILE . 1.7 mp -98.69 134.12 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.606 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -98.29 123.09 42.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.882 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -104.56 118.18 35.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.299 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -122.33 127.82 50.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -118.69 110.3 17.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.703 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -109.75 154.33 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.36 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' SER . 3.8 m-20 -88.94 89.77 8.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -38.97 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 63' ' ' ASP . 100.0 m -61.02 -44.79 96.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.124 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ASP . 92.2 p -108.82 -16.03 14.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.54 13.76 74.55 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -98.46 156.45 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 111.204 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 69' ' ' VAL . 6.3 m -80.05 125.5 38.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -106.03 -34.66 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -151.36 132.3 14.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 42.0 p-10 -151.12 122.62 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -149.08 141.03 23.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.925 0.393 . . . . 0.0 110.065 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -74.87 137.73 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.627 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -120.61 122.74 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.942 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.38 167.39 11.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.549 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 79' ' ' ASP . 44.9 Cg_exo -57.76 144.22 93.79 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.174 1.916 . . . . 0.0 112.07 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 1.3 t0 75.6 -25.68 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 77' ' ' PRO . 63.1 t0 -89.09 69.6 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.517 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.92 105.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.43 117.23 30.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 82' ' ' PHE . 54.2 p90 -102.93 121.56 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.197 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 162.85 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -117.73 147.38 43.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.269 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 85' ' ' VAL . 11.8 p -107.71 107.38 60.25 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.85 125.84 9.02 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.878 1.718 . . . . 0.0 112.455 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.539 ' OE1' ' CD2' ' B' ' 948' ' ' PHE . 57.0 mt-30 -112.08 -31.74 6.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -150.45 168.68 10.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.484 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.88 -41.53 62.66 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 122.337 2.025 . . . . 0.0 112.553 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.445 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 90.3 p -107.58 172.93 6.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.9 152.25 28.64 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -130.24 132.81 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.47 140.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.524 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -117.35 139.44 50.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.49 124.59 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.0 130.44 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.726 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -110.57 113.14 25.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.519 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' A' ' 102' ' ' SER . 96.6 m-85 -88.64 107.75 19.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.73 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -66.25 -21.68 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.59 13.28 2.0 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 98' ' ' PHE . 62.4 m 48.31 45.89 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -97.37 141.81 30.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.567 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -114.5 126.06 54.51 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.216 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -123.39 140.4 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -120.53 122.82 41.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -154.27 163.89 39.43 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.241 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.561 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 4.1 p-90 -143.23 156.68 44.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.019 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.548 ' C ' ' H ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -67.91 64.11 0.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.883 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.47 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 40.5 tt0 -64.34 8.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.957 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 109' ' ' MET . 88.1 tt0 -102.97 103.51 34.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.193 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.01 -20.5 16.77 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.046 1.831 . . . . 0.0 112.631 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -62.1 -23.84 66.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.227 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 116' ' ' GLN . 98.1 m -59.62 -42.11 91.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.818 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.1 t0 51.49 0.71 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.281 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.707 ' H ' HG22 ' A' ' 114' ' ' THR . 73.6 mt-30 -133.2 30.95 3.87 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.824 0.345 . . . . 0.0 110.421 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 117' ' ' ASP . 63.6 t0 -55.12 -38.88 68.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -62.52 -45.73 91.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 0.0 110.58 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -73.1 -33.68 65.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.442 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -60.58 -46.15 91.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.739 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' CYS . . . . . 0.411 ' O ' ' OD1' ' A' ' 125' ' ' ASN . 48.6 t -63.12 -45.81 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.954 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -61.76 -40.6 95.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.262 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -67.61 -43.77 79.64 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.002 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.666 HG22 HG11 ' A' ' 24' ' ' VAL . 53.1 t -64.18 -40.68 89.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.959 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 121' ' ' CYS . 28.3 m120 -62.34 -42.04 99.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.704 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -34.51 75.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -65.67 -48.54 71.76 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.93 -37.29 81.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.711 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 -179.417 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.488 1.148 0 N-CA-C 111.737 -0.14 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 943' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' B' ' 944' ' ' PRO . 0.2 OUTLIER -131.51 145.3 57.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.35 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 944' ' ' PRO . . . . . 0.468 ' O ' ' OE1' ' B' ' 943' ' ' GLU . 55.2 Cg_endo -71.31 146.8 51.69 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.956 1.771 . . . . 0.0 112.951 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.27 -177.19 2.54 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.564 2.176 . . . . 0.0 111.914 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -118.46 148.62 44.41 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.315 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.0 129.07 23.77 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.861 1.707 . . . . 0.0 112.727 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 948' ' ' PHE . . . . . 0.539 ' CD2' ' OE1' ' A' ' 87' ' ' GLN . 29.3 p90 -153.36 143.6 22.32 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -87.45 132.15 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.76 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -95.02 108.97 21.05 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.468 0.651 . . . . 0.0 109.941 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 951' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.5 tt -128.95 126.27 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.714 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 952' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 6.4 t70 -55.17 81.06 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 953' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 951' ' ' ILE . 45.7 p-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.794 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -155.66 95.69 1.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.421 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -129.04 129.23 45.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.64 -63.62 1.26 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG11 HG22 ' A' ' 124' ' ' VAL . 85.4 t -123.87 124.52 69.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.952 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -151.83 129.07 11.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.441 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.83 144.55 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.572 ' HE ' ' NH2' ' A' ' 64' ' ' ARG . 81.7 mtt85 -73.58 148.34 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.202 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.45 149.64 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.08 128.27 9.42 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 63.2 tttm -87.23 156.57 19.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.643 0.259 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.528 ' HE2' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -108.97 138.6 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.533 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' THR . 39.1 t -78.01 112.3 14.78 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 37' ' ' THR . 63.1 tp -117.63 122.18 42.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.426 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.15 133.53 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.896 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.61 -108.23 0.16 Allowed Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -123.32 66.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.135 0.493 . . . . 0.0 110.217 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.469 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -165.51 129.9 2.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.345 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.716 HG12 ' O ' ' B' ' 948' ' ' PHE . 9.9 p -126.82 144.96 35.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.85 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -164.23 161.08 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 122.461 -0.149 . . . . 0.0 110.732 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.11 125.88 19.88 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 121.851 1.701 . . . . 0.0 110.774 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.96 137.48 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 0.0 110.607 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -21.12 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.778 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.526 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 31.9 ttp-105 -92.33 98.49 11.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.18 0.514 . . . . 0.0 110.331 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -74.54 153.32 39.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.119 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 179.06 16.93 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 tt -129.33 129.9 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.708 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.36 122.42 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -128.13 124.95 38.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.602 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 57' ' ' ILE . 77.8 mt -129.81 136.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.661 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.33 149.68 33.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.534 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -92.27 135.92 33.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.466 . . . . 0.0 111.327 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 p -84.74 -169.87 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -89.89 1.37 56.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -106.72 12.15 29.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.377 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t 71.53 28.56 2.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.84 148.29 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.632 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -100.12 133.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.433 . . . . 0.0 110.38 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -105.08 118.25 36.06 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.643 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -94.9 120.65 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.401 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.4 136.73 52.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.212 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -123.04 109.91 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.147 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.96 167.93 10.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 67' ' ' GLY . 24.8 t0 -101.74 128.43 48.07 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.572 ' NH2' ' HE ' ' A' ' 27' ' ' ARG . 14.9 mmm180 -64.46 -35.53 81.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -84.18 -31.57 25.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.809 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -40.62 7.41 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.009 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 81.81 6.77 88.74 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.381 -1.087 . . . . 0.0 110.381 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -99.95 151.38 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.797 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.463 ' H ' HG22 ' A' ' 69' ' ' VAL . 2.8 m -73.56 101.1 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.151 0.5 . . . . 0.0 110.494 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.43 -40.3 57.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.479 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -142.97 134.33 26.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.979 0.418 . . . . 0.0 111.048 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 50.9 p-10 -151.4 134.42 15.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -160.61 142.96 12.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.922 0.391 . . . . 0.0 110.187 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.0 mt -75.8 131.03 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.632 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 92.6 mt -122.87 127.19 74.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -94.89 133.24 26.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.954 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.32 88.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.822 1.681 . . . . 0.0 112.624 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER 168.95 -42.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.826 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.416 ' C ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -94.56 100.12 12.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 170.15 77.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.529 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -91.85 120.26 32.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -111.63 143.48 42.45 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.867 0.365 . . . . 0.0 110.705 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -134.8 161.62 34.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.233 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -111.68 129.57 56.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.929 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.466 HG23 HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -113.93 93.79 31.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.78 84.46 1.98 Allowed 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.758 1.639 . . . . 0.0 112.489 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' B' ' 946' ' ' GLU . 15.1 pt20 -69.23 -43.53 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 91' ' ' GLY . 45.2 t -152.81 132.42 7.11 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.323 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.42 -39.95 17.08 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.4 1.4 . . . . 0.0 111.551 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.6 t -61.99 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -130.51 138.89 10.51 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 121.123 -0.561 . . . . 0.0 111.746 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -142.81 160.22 40.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.0 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.579 HG22 ' N ' ' A' ' 94' ' ' TYR . 15.0 p -143.78 165.44 14.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.796 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.579 ' N ' HG22 ' A' ' 93' ' ' VAL . 89.0 m-85 -115.52 151.82 34.14 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.768 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.52 133.82 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.324 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 60.8 tp -110.61 123.69 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.958 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -110.77 120.71 43.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.4 m-85 -85.22 126.9 34.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.714 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.33 -24.85 63.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.28 -26.18 18.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 103' ' ' LYS . . . -102.85 -19.12 13.62 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' PHE . 15.8 p 59.47 -0.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.988 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER -81.63 162.31 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.449 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 127.03 52.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.214 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.1 tp -113.51 130.25 56.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.831 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -109.91 125.82 53.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -156.25 168.4 27.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.277 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.546 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 5.2 p-90 -147.52 156.63 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.455 ' SD ' ' SG ' ' A' ' 121' ' ' CYS . 2.1 mtp -69.08 62.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.14 -9.14 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.446 ' HG2' ' H ' ' A' ' 113' ' ' LYS . 87.9 tt0 -60.17 130.14 89.07 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.976 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.61 -27.74 8.19 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.875 1.717 . . . . 0.0 113.087 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.446 ' H ' ' HG2' ' A' ' 111' ' ' GLU . 12.0 mmtm -71.75 50.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.187 0.518 . . . . 0.0 110.455 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.1 m -65.34 -37.37 86.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -56.17 -17.45 7.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.271 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -119.15 22.09 12.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 40.6 p-10 -59.81 -42.63 93.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.019 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 24.4 pt-20 -71.33 -36.0 71.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 110.627 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.46 -42.2 87.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -67.45 -42.13 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.319 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.455 ' SG ' ' SD ' ' A' ' 109' ' ' MET . 93.3 m -65.49 -42.39 92.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.353 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.47 -40.79 96.36 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.256 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.91 67.55 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.243 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.428 HG22 HG11 ' A' ' 24' ' ' VAL . 53.9 t -62.51 -41.06 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.702 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -43.5 98.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.802 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 130' ' ' ASN . 95.3 mt-10 -65.44 -42.41 92.45 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.754 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.96 -41.1 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.896 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' A' ' 57' ' ' ILE . 19.3 tp -70.73 -40.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.607 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.431 ' O ' ' OXT' ' A' ' 130' ' ' ASN . 63.6 t30 -100.16 13.35 34.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 126' ' ' GLU . 3.4 t-20 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.648 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 48.93 70.9 1.8 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.623 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.51 179.2 0.51 Allowed 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.951 2.434 . . . . 0.0 111.652 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.3 108.65 51.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.16 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.11 161.09 32.84 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.962 1.774 . . . . 0.0 113.216 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.58 -174.4 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 123.236 2.624 . . . . 0.0 111.488 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 946' ' ' GLU . . . . . 0.552 ' O ' ' NE2' ' A' ' 87' ' ' GLN . 99.5 mt-10 -128.01 148.61 68.11 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 947' ' ' PRO . . . . . 0.499 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.4 Cg_endo -67.03 134.11 33.19 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 121.362 1.374 . . . . 0.0 114.108 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 948' ' ' PHE . . . . . 0.716 ' O ' HG12 ' A' ' 38' ' ' VAL . 38.5 p90 -154.5 166.7 32.47 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.048 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 949' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' B' ' 949' ' ' GLU . 59.1 mp0 -94.01 120.59 34.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.128 0.49 . . . . 0.0 109.723 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -92.88 115.1 27.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.793 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 951' ' ' ILE . . . . . 0.593 ' O ' HG23 ' B' ' 951' ' ' ILE . 17.8 tt -134.23 115.68 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.774 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 952' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 54.3 p-10 -60.92 80.82 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.256 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 953' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 951' ' ' ILE . 68.3 t0 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -64.1 -38.7 92.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.184 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -118.94 70.23 0.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.9 -49.01 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 110.3 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.486 HG13 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -142.41 141.02 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.573 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -151.0 123.92 8.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CE2' ' CE1' ' A' ' 120' ' ' HIS . 66.3 m-85 -138.31 148.74 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.168 0.509 . . . . 0.0 111.39 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.579 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 84.6 mtp180 -82.65 147.37 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.349 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -160.81 150.85 17.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.138 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.569 ' N ' ' OE1' ' A' ' 110' ' ' GLN . . . -110.16 142.47 16.55 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 30.1 tttt -83.86 -163.24 0.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 0.0 110.189 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -138.43 142.51 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.584 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -78.23 129.96 35.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.189 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 121.73 41.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.095 0.474 . . . . 0.0 111.121 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -155.37 135.02 12.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.013 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.67 55.35 2.7 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 48.42 64.68 1.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.636 0.731 . . . . 0.0 109.519 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -153.4 114.85 4.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.537 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.79 114.29 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.08 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.494 ' O ' ' SD ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -131.57 175.87 3.35 Favored Pre-proline 0 N--CA 1.451 -0.381 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 179.24 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.36 134.5 52.19 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.185 1.923 . . . . 0.0 112.558 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 30' ' ' LYS . 34.4 p-10 -92.25 138.25 31.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.759 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -80.59 -7.91 59.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.544 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.3 ttm105 -97.5 120.54 38.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.399 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -87.15 143.05 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.934 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.63 175.15 19.15 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.865 HD23 ' N ' ' A' ' 47' ' ' VAL . 3.3 tt -131.2 141.48 50.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.956 0.408 . . . . 0.0 110.801 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.865 ' N ' HD23 ' A' ' 46' ' ' LEU . 82.3 t -106.83 122.36 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.983 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.797 ' CE1' HD22 ' A' ' 46' ' ' LEU . 49.8 m-85 -116.68 130.93 57.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.788 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mm -124.16 127.06 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -135.7 137.89 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.302 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.432 ' HA ' HD12 ' A' ' 57' ' ' ILE . 60.7 tt0 -99.85 128.97 45.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.476 ' OG1' ' NE2' ' A' ' 58' ' ' HIS . 6.2 m -93.83 156.16 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.583 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.2 -26.18 68.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 55' ' ' SER . 56.2 m-20 -68.95 -2.96 11.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.664 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER 82.42 26.27 0.16 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.103 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 55' ' ' SER . 11.0 mp -119.24 142.87 47.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 51' ' ' GLN . 1.4 tp -100.13 147.84 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.19 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.476 ' NE2' ' OG1' ' A' ' 52' ' ' THR . 4.7 m-70 -114.33 124.68 52.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -109.18 112.55 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.47 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.0 t -120.67 130.5 54.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -108.93 112.4 24.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.168 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -106.94 139.05 41.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.372 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 67' ' ' GLY . 59.3 t0 -82.03 118.43 22.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.474 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.579 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 32.5 mtp180 -68.26 -37.82 81.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.517 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.2 m -60.87 -45.36 94.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.7 m -94.22 -25.15 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.101 0.476 . . . . 0.0 110.42 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 73.33 14.01 79.5 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -114.82 154.58 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.693 0.282 . . . . 0.0 111.153 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG22 ' H ' ' A' ' 69' ' ' VAL . 2.0 m -65.65 123.27 18.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.9 -44.56 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.735 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -159.89 150.28 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -152.01 148.42 27.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.236 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.73 142.55 12.35 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.026 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -83.12 136.19 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.696 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.8 mt -119.69 129.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.546 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.74 153.64 61.07 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.918 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 79' ' ' ASP . 69.2 Cg_exo -51.4 142.84 36.84 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.522 1.481 . . . . 0.0 112.06 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 69.04 -12.85 0.38 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.218 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 77' ' ' PRO . 8.0 t70 -89.62 77.56 7.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.038 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.77 101.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.392 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -102.44 132.76 48.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -104.77 137.64 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.262 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.92 147.76 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -119.05 135.05 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.406 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 85' ' ' VAL . 28.2 m -116.17 90.95 30.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.795 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.92 112.6 1.02 Allowed 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.191 1.927 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.677 ' NE2' ' CE2' ' B' ' 948' ' ' PHE . 2.9 mt-30 -113.63 -37.17 4.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.499 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.85 157.93 46.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.781 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -29.88 31.97 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.612 2.208 . . . . 0.0 112.292 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.5 m -105.41 -3.7 22.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.83 148.37 18.8 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -141.1 130.68 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.724 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.532 HG21 HE22 ' A' ' 87' ' ' GLN . 84.3 t -131.31 133.39 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.657 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -109.24 130.36 55.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.248 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.42 122.38 68.0 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.67 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 96' ' ' LEU . 53.9 mt -106.98 129.81 54.72 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.384 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -116.93 132.07 56.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.358 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -86.87 112.0 21.33 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -61.52 -33.12 73.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.0 69.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.322 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.93 -129.26 3.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.508 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 52.6 p -156.97 25.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.607 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -86.26 140.29 30.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 102' ' ' SER . 4.5 mpt_? -122.49 129.53 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.291 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 106' ' ' PHE . 1.4 tt -110.44 132.25 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.942 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.721 ' N ' HD23 ' A' ' 105' ' ' LEU . 31.1 m-85 -112.17 120.29 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -151.72 164.7 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.583 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.536 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.0 p-90 -143.65 155.37 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.304 0.574 . . . . 0.0 110.624 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.508 ' C ' ' H ' ' A' ' 111' ' ' GLU . 22.0 mmm -80.54 63.16 4.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.096 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.569 ' OE1' ' N ' ' A' ' 29' ' ' GLY . 0.2 OUTLIER -65.28 2.9 0.73 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.081 0.467 . . . . 0.0 110.271 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 109' ' ' MET . 21.4 pt-20 -61.1 150.36 79.09 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.821 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.76 -29.38 80.41 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.934 1.756 . . . . 0.0 112.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -63.42 -71.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 111.284 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.482 HG23 ' OD2' ' A' ' 117' ' ' ASP . 2.0 m 44.06 27.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -112.66 -7.4 13.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -137.19 25.97 2.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.111 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.482 ' OD2' HG23 ' A' ' 114' ' ' THR . 98.2 m-20 -60.65 -41.12 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.081 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.98 -40.73 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.42 -39.86 74.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.649 ' O ' HG23 ' A' ' 124' ' ' VAL . 48.1 m170 -63.59 -43.48 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.084 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -62.03 -43.52 98.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.755 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -37.7 84.35 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.148 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 120' ' ' HIS . 55.6 t -61.71 -43.41 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 129' ' ' ASN . 98.9 m-20 -65.34 -37.69 87.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.135 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 130' ' ' ASN . 64.1 mm-40 -59.29 -43.12 92.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.061 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -71.22 -34.3 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.8 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.07 -23.95 35.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.617 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 130' ' ' ASN . 58.5 t-20 -102.8 -45.55 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.31 . . . . 0.0 111.158 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.558 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 941' ' ' GLU . . . . . 0.44 ' N ' ' HD2' ' B' ' 942' ' ' PRO . 4.3 mt-10 -51.78 -55.05 33.5 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.895 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 942' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' B' ' 941' ' ' GLU . 61.4 Cg_endo -72.61 161.21 44.65 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.872 1.714 . . . . 0.0 111.694 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -114.1 94.69 35.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.37 142.83 46.16 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.403 2.069 . . . . 0.0 112.872 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.52 -178.11 2.1 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.501 2.134 . . . . 0.0 111.914 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -110.53 149.71 40.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -60.55 130.8 35.0 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.063 1.842 . . . . 0.0 112.809 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 948' ' ' PHE . . . . . 0.677 ' CE2' ' NE2' ' A' ' 87' ' ' GLN . 45.4 p90 -146.48 153.18 40.12 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.708 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -86.98 126.22 34.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.142 0.496 . . . . 0.0 110.814 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -97.77 97.3 8.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.835 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 951' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 953' ' ' ASP . 3.9 mm -118.78 122.32 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.102 -0.953 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.98 80.12 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.882 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 953' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.1 p-10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.455 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 pttm -64.05 -3.09 2.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.828 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -127.94 123.03 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 23' ' ' LEU . 13.9 tp -99.7 -49.88 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.689 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.423 HG11 HG22 ' A' ' 124' ' ' VAL . 81.9 t -137.2 129.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.596 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -156.49 133.55 10.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.482 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.412 ' CZ ' ' NE2' ' A' ' 120' ' ' HIS . 79.2 m-85 -154.94 155.71 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -72.32 148.64 45.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -157.36 135.41 10.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.4 . . . . 0.0 110.649 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -88.79 151.82 22.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -96.98 166.52 11.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.657 0.265 . . . . 0.0 110.296 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.4 mtp -124.86 144.48 50.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.347 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.533 ' OG ' ' NZ ' ' A' ' 34' ' ' LYS . 34.7 t -76.96 151.38 35.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' CD2' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -133.88 107.85 8.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.84 0.352 . . . . 0.0 110.63 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' CD ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -134.38 127.48 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 34.2 63.68 0.42 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p 50.24 63.75 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 109.994 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -149.51 113.39 5.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.554 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.454 HG22 ' CD2' ' A' ' 33' ' ' LEU . 36.2 t -103.38 115.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.417 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.77 156.95 70.7 Favored Pre-proline 0 N--CA 1.446 -0.672 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.612 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -49.04 127.74 17.9 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.755 1.637 . . . . 0.0 112.966 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 63.6 t0 -99.01 133.27 43.51 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 26.5 pttm -59.22 -14.85 12.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.388 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -82.32 129.9 34.97 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.878 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -116.8 142.33 47.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.394 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.87 -174.48 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -130.14 138.77 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 111.132 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 28' ' ' ALA . 70.3 t -93.17 122.89 45.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.73 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 120.63 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 57' ' ' ILE . 92.0 mt -131.07 129.8 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.848 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -148.86 140.75 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.022 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -90.72 126.98 36.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 110.788 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 174.02 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -74.42 -2.85 27.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.709 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.52 12.99 36.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.508 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m 67.15 32.5 6.1 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.9 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 76' ' ' PHE . 67.6 mt -117.5 143.83 45.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.855 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 49' ' ' ILE . 1.6 mp -95.69 120.14 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.169 0.509 . . . . 0.0 110.583 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -88.25 114.47 24.9 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.59 118.12 35.77 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.138 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.2 m -130.99 133.24 45.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -112.17 110.97 21.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.096 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -104.7 135.37 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.133 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 67' ' ' GLY . 45.1 m-20 -77.51 121.9 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.724 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -71.53 -40.72 69.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -38.74 91.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.938 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -99.04 -27.39 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 74.21 12.93 81.63 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -110.85 148.34 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 111.149 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -67.45 139.07 21.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -115.89 -41.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -142.11 135.29 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.797 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 47.0 p-10 -151.23 104.9 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -144.75 142.66 30.19 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.764 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 tp -74.61 140.55 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.94 132.02 72.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.259 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CD2' HD22 ' A' ' 56' ' ' LEU . 25.0 m-85 -87.93 150.72 48.4 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.6 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.459 ' C ' ' H ' ' A' ' 79' ' ' ASP . 50.3 Cg_exo -54.15 142.21 67.34 Favored 'Trans proline' 0 N--CA 1.498 1.735 0 C-N-CA 121.814 1.676 . . . . 0.0 112.178 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 72.48 -17.92 0.36 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.163 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 77' ' ' PRO . 36.3 t0 -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.554 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.7 t -114.67 120.61 40.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.795 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -106.42 137.72 43.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -104.78 143.52 33.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.473 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -135.25 153.74 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.936 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -112.04 126.49 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.284 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 85' ' ' VAL . 33.5 m -115.3 91.19 27.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.08 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.36 119.52 4.2 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 122.419 2.079 . . . . 0.0 111.849 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.33 -36.63 7.54 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 90' ' ' SER . 11.3 p -136.75 151.6 72.82 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.05 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.19 -38.42 41.06 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 122.136 1.891 . . . . 0.0 112.512 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.434 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 40.7 t -103.01 127.88 50.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.67 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 123.51 149.89 7.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.498 ' NH2' ' OD2' ' A' ' 117' ' ' ASP . 86.6 mtm180 -132.89 132.52 42.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.503 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.53 148.91 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -140.87 159.64 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.317 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 105' ' ' LEU . 8.0 p -135.97 142.58 38.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.361 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -104.54 142.3 34.87 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.387 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.33 116.48 25.62 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.075 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.547 ' O ' ' N ' ' A' ' 102' ' ' SER . 41.1 m-85 -89.9 109.54 20.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.36 -10.95 59.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.801 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -93.79 -15.0 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.131 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.99 4.5 2.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 98' ' ' PHE . 25.8 m 49.3 32.32 4.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.831 0.348 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.441 ' HD3' HD21 ' A' ' 105' ' ' LEU . 24.4 ttmt -90.22 141.31 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -120.67 119.41 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.705 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 95' ' ' VAL . 89.4 mt -114.63 139.21 49.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.452 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -116.54 126.22 53.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.621 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -142.21 161.82 37.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.514 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.8 p-90 -144.38 155.91 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.531 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.9 mmm -77.11 62.76 2.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.947 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -8.31 7.43 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.028 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.31 148.91 78.27 Favored Pre-proline 0 N--CA 1.445 -0.683 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.405 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.09 -43.78 46.26 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 121.976 1.784 . . . . 0.0 112.999 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt 177.84 -172.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.506 ' C ' ' H ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -169.48 -18.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 179.697 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 61.29 -2.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' A' ' 114' ' ' THR . 95.7 mt-30 -136.41 27.34 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.313 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.498 ' OD2' ' NH2' ' A' ' 92' ' ' ARG . 65.9 t0 -59.13 -43.79 92.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.36 -46.16 87.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.96 -40.45 91.29 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 124' ' ' VAL . 2.3 m-70 -65.21 -46.72 79.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.79 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.61 -48.08 78.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -63.46 -45.01 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.755 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -41.92 94.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.2 t -63.7 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.452 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.4 -42.4 98.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.861 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 130' ' ' ASN . 76.4 mm-40 -66.46 -41.74 88.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -61.43 -44.25 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 57' ' ' ILE . 3.4 tp -74.79 -24.17 58.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.58 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -101.48 5.16 41.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' GLU . 63.1 t30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.674 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 941' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' B' ' 941' ' ' GLU . 47.3 mp0 -130.45 150.45 76.28 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 942' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' B' ' 941' ' ' GLU . 53.9 Cg_exo -47.57 -175.67 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.263 1.975 . . . . 0.0 111.926 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 943' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' B' ' 943' ' ' GLU . 56.6 mp0 -117.64 86.56 23.86 Favored Pre-proline 0 C--O 1.236 0.348 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 944' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 945' ' ' PRO . 51.3 Cg_exo -53.91 133.24 53.84 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.191 1.928 . . . . 0.0 113.089 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 945' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 944' ' ' PRO . 50.4 Cg_exo -48.43 -175.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.679 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -119.67 149.27 47.88 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.116 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.04 128.32 21.88 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.021 1.814 . . . . 0.0 113.039 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 948' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 23.3 p90 -153.27 145.91 24.24 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 949' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' B' ' 949' ' ' GLU . 34.2 mp0 -86.36 132.14 34.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.813 0.339 . . . . 0.0 111.152 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.53 111.65 23.69 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.244 0.545 . . . . 0.0 110.203 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 951' ' ' ILE . . . . . 0.535 ' O ' HG23 ' B' ' 951' ' ' ILE . 18.2 tt -130.46 120.0 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.148 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.49 81.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.209 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 953' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.24 -39.79 94.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.667 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 25' ' ' GLU . 3.8 m-30 -87.08 94.92 9.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.5 tp -100.16 -43.71 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.275 0.559 . . . . 0.0 109.869 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.0 t -139.51 135.32 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' OE1' ' CD2' ' A' ' 22' ' ' TYR . 8.8 pt-20 -164.03 149.35 10.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE2' ' OE1' ' A' ' 111' ' ' GLU . 2.8 t80 -171.85 150.09 2.57 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.692 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -75.33 155.0 37.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.21 156.14 30.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.195 0.522 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 141.61 16.62 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.188 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -100.42 163.1 12.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.421 ' SD ' HG11 ' A' ' 93' ' ' VAL . 80.4 mtp -113.69 140.66 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.503 ' OG ' ' NZ ' ' A' ' 34' ' ' LYS . 25.2 t -77.75 122.98 26.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -111.57 121.77 46.03 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.992 0.425 . . . . 0.0 110.957 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.503 ' NZ ' ' OG ' ' A' ' 32' ' ' SER . 5.0 ptpt -153.42 139.15 17.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.475 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.27 3.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.57 64.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.57 0.7 . . . . 0.0 109.514 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m -151.39 106.39 3.29 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.822 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.9 t -95.92 106.48 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.351 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -127.24 158.71 68.43 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.43 126.96 20.49 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 121.61 1.54 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -85.09 143.67 28.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.09 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.38 -9.35 59.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -87.55 126.07 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.798 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -85.84 152.86 22.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.36 163.72 25.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 47' ' ' VAL . 4.4 tt -125.88 134.35 51.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.805 0.336 . . . . 0.0 110.44 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.797 ' N ' HD23 ' A' ' 46' ' ' LEU . 97.0 t -99.69 120.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.323 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.676 ' CD1' HD22 ' A' ' 46' ' ' LEU . 6.1 m-85 -120.13 124.97 47.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.363 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.53 HG23 HG23 ' A' ' 57' ' ' ILE . 77.7 mt -129.0 130.95 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.182 0.515 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.411 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 1.0 OUTLIER -145.53 138.79 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.614 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -94.14 129.53 40.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -78.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -179.37 -22.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.54 26.96 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m 70.9 26.09 3.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 57' ' ' ILE . 85.5 mt -109.25 136.85 48.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.53 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -103.6 133.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.183 0.516 . . . . 0.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -98.81 110.26 22.89 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.48 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -94.58 116.89 29.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.126 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -122.51 130.83 53.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.476 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -112.17 110.31 20.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HG3' HG12 ' A' ' 69' ' ' VAL . 45.3 mttt -103.18 147.33 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.02 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 67' ' ' GLY . 7.8 m-20 -96.98 124.48 40.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.504 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -66.78 -40.59 88.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.076 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.1 m -65.0 -45.47 85.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.7 m -86.55 -29.16 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.087 0.47 . . . . 0.0 110.152 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.13 16.36 75.03 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -122.71 163.78 19.5 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.121 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG12 ' HG3' ' A' ' 62' ' ' LYS . 29.0 m -75.27 126.21 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.04 -40.46 9.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.69 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -151.73 138.64 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 51.8 p-10 -150.74 131.18 13.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.33 151.05 16.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.993 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.0 mt -81.83 134.83 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.64 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.07 125.16 74.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.006 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -71.26 152.67 94.37 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.198 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 24.5 Cg_endo -62.52 140.48 81.93 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 121.486 1.457 . . . . 0.0 111.083 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 7.2 t0 76.65 -13.82 0.89 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.43 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -87.42 77.31 8.9 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.198 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 79' ' ' ASP . 0.8 OUTLIER 171.25 97.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.378 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.3 tm-20 -82.27 131.99 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.463 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.6 p90 -115.67 134.56 54.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.945 0.402 . . . . 0.0 110.6 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -143.38 167.66 21.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.56 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -114.83 145.55 42.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.562 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.31 91.05 31.55 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 108.36 0.55 Allowed 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.909 1.74 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CG ' ' B' ' 948' ' ' PHE . 91.7 mm-40 -113.49 -26.12 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -149.75 152.91 35.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.65 -22.74 70.13 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.409 2.073 . . . . 0.0 112.019 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.1 t -114.82 112.46 22.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.05 163.96 37.87 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -164.61 167.56 19.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 110.61 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.421 HG11 ' SD ' ' A' ' 31' ' ' MET . 27.5 m -119.18 155.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.81 143.18 34.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 95' ' ' VAL . 6.1 p -123.58 130.45 74.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 81' ' ' GLU . 1.3 mm? -110.53 121.23 44.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.209 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.99 128.05 55.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.367 0.417 . . . . 0.0 110.103 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CE1' ' NZ ' ' A' ' 103' ' ' LYS . 66.3 m-85 -87.42 119.48 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -64.8 -35.57 81.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.167 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.35 70.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.78 -148.09 7.27 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 p -142.27 11.85 1.95 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.839 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.424 ' NZ ' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -82.23 154.39 25.44 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.678 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' NE ' ' OH ' ' B' ' 950' ' ' TYR . 0.0 OUTLIER -133.82 137.96 45.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.127 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 107' ' ' PHE . 1.1 mm? -116.16 149.85 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -115.1 115.62 27.08 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.257 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 105' ' ' LEU . 65.1 m-85 -137.22 152.47 49.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.212 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.461 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 4.3 p-90 -149.61 155.75 40.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.43 ' O ' ' CG2' ' A' ' 114' ' ' THR . 0.0 OUTLIER -71.65 62.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.207 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.56 -23.63 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.504 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 114' ' ' THR . 87.9 tt0 -46.55 124.24 7.5 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.88 -25.87 16.76 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.503 2.135 . . . . 0.0 113.393 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 115' ' ' ASP . 25.1 mtpp -61.97 -45.05 95.35 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.418 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' GLU . 1.9 p 22.02 40.86 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.066 0.854 . . . . 0.0 111.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 113' ' ' LYS . 97.8 m-20 -101.53 -28.56 12.47 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -122.15 27.13 8.16 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.131 0.491 . . . . 0.0 110.146 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 34.7 p-10 -58.88 -38.47 78.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.88 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 98.9 mt-10 -65.36 -41.87 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.41 -40.47 81.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 124' ' ' VAL . 47.7 m-70 -64.05 -42.69 96.96 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.776 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 118' ' ' GLU . 22.3 p -69.76 -37.19 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.919 0.39 . . . . 0.0 110.277 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ARG . . . . . 0.409 ' N ' ' SG ' ' A' ' 121' ' ' CYS . 24.0 mmt180 -73.1 -41.77 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.099 0.476 . . . . 0.0 110.184 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -67.79 -43.59 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.904 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 120' ' ' HIS . 33.0 m -69.53 -37.81 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.452 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.41 ' N ' HG23 ' A' ' 124' ' ' VAL . 45.0 t30 -61.58 -44.22 97.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.017 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.96 -44.11 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.03 -42.3 89.79 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.424 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.401 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 tp -75.66 -29.57 59.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 110.604 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 130' ' ' ASN . 24.2 t-20 -87.5 -15.63 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.562 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 129' ' ' ASN . 7.3 t30 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.469 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 940' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' B' ' 940' ' ' GLN . 7.4 mp0 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -127.98 82.78 67.76 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.566 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.23 148.09 62.44 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.739 2.293 . . . . 0.0 112.06 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 943' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' B' ' 943' ' ' GLU . 0.8 OUTLIER -100.06 108.08 50.24 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.595 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 944' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 945' ' ' PRO . 83.9 Cg_exo -50.69 131.25 32.89 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.075 1.85 . . . . 0.0 112.369 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 945' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 944' ' ' PRO . 52.3 Cg_exo -48.72 -177.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.812 1.675 . . . . 0.0 112.193 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 946' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' B' ' 946' ' ' GLU . 40.3 mp0 -114.75 150.7 44.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.592 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.44 131.96 43.57 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.052 1.834 . . . . 0.0 112.803 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 948' ' ' PHE . . . . . 0.525 ' CG ' ' OE1' ' A' ' 87' ' ' GLN . 42.6 p90 -149.16 159.92 43.82 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -92.61 123.25 35.77 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.303 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 950' ' ' TYR . . . . . 0.439 ' OH ' ' NE ' ' A' ' 104' ' ' ARG . 23.4 t80 -94.78 96.8 9.61 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.689 0.756 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 951' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.8 mt -121.68 127.74 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-N 114.225 -1.352 . . . . 0.0 108.939 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -65.29 80.45 0.05 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.858 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 953' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.1 t0 . . . . . 0 C--O 1.221 -0.446 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.611 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -80.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -114.86 124.05 50.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.319 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.81 -62.91 1.37 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.049 0.452 . . . . 0.0 110.055 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.591 HG23 ' HB ' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -141.08 118.01 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.439 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 20.6 pm0 -140.7 143.01 34.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.779 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER 179.59 173.84 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.417 ' HA ' HD12 ' A' ' 46' ' ' LEU . 16.0 mtm-85 -88.64 164.25 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.426 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.76 159.23 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.67 144.38 17.92 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -92.08 -171.75 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.597 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.472 ' CE ' HG12 ' A' ' 38' ' ' VAL . 62.7 mtp -130.71 137.84 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.379 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.7 108.65 9.87 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 106' ' ' PHE . 35.9 tp -104.26 103.67 13.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.393 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 21.9 mtmt -140.04 136.24 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.688 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' ' 36' ' ' THR . . . 39.44 56.26 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' GLY . 5.5 p 49.37 63.53 2.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 -178.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 39' ' ' THR . 17.1 m -146.63 109.09 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.562 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CE ' ' A' ' 31' ' ' MET . 17.1 t -101.64 102.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.671 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 37' ' ' THR . 0.1 OUTLIER -127.16 161.21 55.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 123.328 0.392 . . . . 0.0 110.297 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.97 123.28 13.48 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.386 2.057 . . . . 0.0 112.469 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -71.42 129.04 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.616 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -64.35 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.496 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -80.56 146.19 31.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -102.7 137.57 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.1 160.86 13.0 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 27' ' ' ARG . 25.4 tp -117.74 120.69 38.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.665 0.269 . . . . 0.0 110.292 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -92.39 116.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -130.28 121.62 26.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.689 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.591 ' HB ' HG23 ' A' ' 24' ' ' VAL . 49.0 mt -131.67 130.8 62.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -128.92 134.11 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.286 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -89.73 129.14 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.558 ' OG1' ' NE2' ' A' ' 50' ' ' GLN . 2.0 m -134.03 143.89 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.222 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.73 -21.68 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' H ' HG22 ' A' ' 52' ' ' THR . 71.6 m-20 -104.08 5.33 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -155.92 14.46 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.067 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 76' ' ' PHE . 16.2 mt 54.94 -151.89 0.37 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.5 mp -87.47 126.18 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -101.21 114.64 28.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -94.6 120.86 35.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.2 t -127.03 130.3 49.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -120.87 111.59 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.297 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.1 mtpp -110.19 156.38 20.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.611 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 67' ' ' GLY . 35.0 p30 -97.07 125.19 41.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.687 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -66.67 -29.08 69.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.078 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -67.41 -29.71 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.05 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.436 ' OG ' ' OD1' ' A' ' 63' ' ' ASP . 1.1 p -116.22 -20.92 9.61 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.85 18.4 72.41 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -114.52 154.0 29.02 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 111.293 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.26 134.22 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.378 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.83 -36.68 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.508 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -166.29 132.13 2.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 49.1 p-10 -136.43 130.67 33.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.605 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.6 mt -143.4 148.4 36.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.294 0.569 . . . . 0.0 110.496 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -84.51 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.355 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.62 HG21 HD12 ' A' ' 128' ' ' LEU . 4.4 mm -113.55 124.02 69.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.265 0.555 . . . . 0.0 110.355 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' HA ' HD13 ' A' ' 56' ' ' LEU . 89.0 m-85 -75.75 149.02 82.95 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.391 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 41.7 Cg_endo -67.38 64.73 0.74 Allowed 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.595 2.196 . . . . 0.0 112.149 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 163.57 -19.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 67.1 t0 -96.42 98.81 10.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.649 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 165.86 99.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.446 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -107.9 128.76 54.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.282 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -109.43 137.55 47.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -124.26 147.26 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -118.15 133.41 55.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 85' ' ' VAL . 10.1 m -115.2 89.41 20.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.875 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -83.51 83.49 1.83 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -102.46 -11.68 18.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.65 150.61 60.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.81 -20.92 58.53 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.539 2.16 . . . . 0.0 112.249 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.5 t -137.99 146.28 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.74 40.66 4.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.12 141.9 58.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.258 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.5 m -128.91 156.95 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -117.27 137.4 52.43 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.1 t -118.69 121.71 67.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.01 134.65 41.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.565 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -124.81 129.5 50.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 101' ' ' GLY . 54.9 m-85 -87.24 119.78 27.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -65.58 -31.21 72.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.88 -23.46 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 98' ' ' PHE . . . -146.36 -152.07 5.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 p -122.21 14.62 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.596 ' CB ' ' NZ ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -65.24 132.97 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.546 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.3 129.59 55.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 mt -115.33 133.69 55.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.348 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.456 ' CZ ' HD22 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -125.94 124.2 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -156.52 167.59 29.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.481 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 8.7 p-90 -145.03 159.54 42.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 61.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.81 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.584 HE21 ' C ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -65.29 -12.57 53.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.915 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -61.95 148.27 88.4 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.253 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.64 -24.07 63.02 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.495 2.13 . . . . 0.0 112.472 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -83.13 93.06 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.06 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -107.35 16.4 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.909 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.82 -4.22 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -136.11 23.06 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.345 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.4 -41.01 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -69.37 -40.49 77.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.13 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 124' ' ' VAL . 21.5 t-80 -65.27 -46.18 81.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.426 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.6 t -61.33 -47.22 86.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.49 -45.37 76.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.81 -44.61 89.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.0 t -63.51 -44.26 98.67 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.404 ' HA ' HD21 ' A' ' 125' ' ' ASN . 10.0 m120 -63.76 -40.24 96.21 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.739 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 130' ' ' ASN . 53.3 tp10 -63.49 -44.6 93.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.904 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -65.0 -44.01 90.64 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.192 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.62 HD12 HG21 ' A' ' 75' ' ' ILE . 4.0 mm? -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -99.14 11.98 37.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.425 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 126' ' ' GLU . 51.0 p30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.615 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -116.22 147.62 39.81 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.74 157.14 56.08 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.814 2.343 . . . . 0.0 112.126 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -94.63 112.94 59.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.421 -0.511 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.3 150.6 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.699 1.599 . . . . 0.0 113.277 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.01 -176.57 1.32 Allowed 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.955 2.436 . . . . 0.0 111.601 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -118.25 151.8 49.8 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.83 128.78 27.99 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.244 1.963 . . . . 0.0 112.576 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 948' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 30.7 p90 -148.43 150.73 33.99 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.564 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -86.07 125.4 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.821 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -88.25 109.77 20.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.193 0.52 . . . . 0.0 110.252 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 951' ' ' ILE . . . . . 0.593 ' O ' HG23 ' B' ' 951' ' ' ILE . 17.9 tt -134.79 117.08 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.171 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 952' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 53.1 p-10 -58.02 81.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.679 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 953' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' B' ' 951' ' ' ILE . 59.2 p30 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.677 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 p30 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -62.1 -42.13 98.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -80.8 101.15 9.17 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.431 HD12 ' H ' ' A' ' 51' ' ' GLN . 92.0 mt -79.83 -44.65 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.697 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.8 t -130.12 129.49 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -159.78 141.89 13.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 52.6 p90 -159.44 159.14 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -83.29 149.02 27.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.406 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.66 149.14 26.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.228 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -107.58 141.89 15.73 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 173.93 7.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.5 mtp -124.67 141.75 51.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -77.13 142.75 39.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.472 HD21 HG22 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -123.32 118.25 27.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.834 0.35 . . . . 0.0 110.607 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' GLY . 40.8 mttt -144.9 125.1 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 30.73 66.91 0.13 Allowed Glycine 0 N--CA 1.469 0.886 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p 50.16 63.63 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.164 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.5 m -149.1 123.17 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 HD21 ' A' ' 33' ' ' LEU . 61.8 t -116.73 120.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 123.137 0.273 . . . . 0.0 111.022 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.81 161.33 46.66 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.549 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.33 122.67 12.2 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.044 1.83 . . . . 0.0 111.928 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.18 143.26 35.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.481 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -71.57 -27.48 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.705 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -75.7 146.64 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.18 134.28 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.987 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.83 146.14 17.02 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.1 tp -115.97 124.78 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.676 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 65.0 t -98.98 116.31 41.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -120.58 123.62 43.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.316 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.504 HG23 HG23 ' A' ' 57' ' ' ILE . 78.7 mt -124.68 129.2 73.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.036 0.446 . . . . 0.0 110.749 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -135.61 134.51 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.381 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' H ' HD12 ' A' ' 23' ' ' LEU . 51.0 tt0 -98.79 125.7 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.2 p -87.88 171.46 10.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -75.1 -0.91 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.759 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -95.64 8.73 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 69.54 26.4 5.11 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 mt -116.58 137.43 52.18 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.699 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.504 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -98.58 131.93 44.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 121.047 0.451 . . . . 0.0 110.563 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -98.55 115.44 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.729 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.43 117.69 34.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.264 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.6 t -125.37 125.32 43.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.324 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.548 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 80.6 t90 -117.37 109.92 17.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.669 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -114.44 147.52 39.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.585 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.6 m-20 -79.62 101.01 8.09 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.876 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -51.55 -29.72 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.86 0.362 . . . . 0.0 110.427 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 -44.93 96.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -104.59 -16.17 15.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.68 15.8 69.17 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -101.65 137.7 39.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -65.23 135.8 27.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 10.3 mm-40 -115.6 -41.15 3.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.826 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 70' ' ' GLU . 7.5 m-20 -143.46 135.2 26.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.675 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 45.1 p-10 -152.67 117.8 5.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 tp -155.59 144.69 20.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.945 0.403 . . . . 0.0 110.067 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.0 mt -76.29 138.14 21.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.64 124.48 73.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 78' ' ' ASP . 79.9 m-85 -78.3 124.27 85.71 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.069 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 67.1 Cg_exo -44.15 82.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.02 1.813 . . . . 0.0 112.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER 163.94 -24.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.75 179.521 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 99.0 m-20 -103.87 104.16 14.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 161.78 96.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.097 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 96' ' ' LEU . 37.7 tt0 -105.58 135.04 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.208 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -111.83 147.59 35.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.838 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -135.49 149.08 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.7 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -112.83 129.28 56.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.143 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -114.39 91.44 24.18 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.473 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -83.09 84.51 1.72 Allowed 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 122.518 2.145 . . . . 0.0 112.441 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.81 -30.88 16.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 91.0 m -134.34 148.62 68.45 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.767 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.64 -23.5 49.21 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.424 2.083 . . . . 0.0 112.263 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.408 ' OG ' ' OE2' ' B' ' 943' ' ' GLU . 29.7 t -101.2 127.1 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.893 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.56 162.67 38.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -135.91 134.14 38.4 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.176 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.4 t -124.15 128.64 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.19 145.34 45.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.36 131.64 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.478 HD11 ' SG ' ' A' ' 80' ' ' CYS . 0.2 OUTLIER -104.89 117.31 33.72 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.602 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -105.84 118.11 35.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.582 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -90.38 96.75 10.81 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -62.5 -19.51 63.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.59 66.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.005 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.46 6.63 3.92 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 98' ' ' PHE . 34.8 m 54.82 46.72 23.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.59 0.233 . . . . 0.0 110.81 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.41 ' HD2' HD23 ' A' ' 105' ' ' LEU . 1.7 ttmt -110.74 138.72 46.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.657 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -114.15 135.21 54.28 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.717 HD12 ' CE1' ' A' ' 107' ' ' PHE . 0.4 OUTLIER -125.91 150.07 48.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 179.467 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.0 127.44 55.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.893 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 105' ' ' LEU . 53.8 m-85 -151.8 157.48 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.518 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 5.6 p-90 -148.49 158.46 44.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.58 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mmm -70.33 59.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.775 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.411 ' CG ' ' CH2' ' A' ' 108' ' ' TRP . 19.9 tm0? -65.72 -17.71 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.76 149.17 80.76 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.546 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.85 -37.01 76.42 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.078 1.852 . . . . 0.0 112.665 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -69.92 97.62 1.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.549 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.7 t -121.46 7.7 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.378 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.01 -5.79 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.83 27.1 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.053 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 18.2 p-10 -62.33 -37.17 84.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.13 -43.95 96.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.323 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.83 -41.25 92.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 124' ' ' VAL . 59.1 m-70 -63.69 -44.69 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 92.8 m -65.71 -42.1 91.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -63.91 -43.89 94.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.79 80.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.1 t -63.24 -41.84 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.61 -41.05 98.77 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.76 -45.06 95.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.872 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.94 -45.26 93.2 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.917 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.87 -30.36 65.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.76 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -86.41 -10.66 53.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.789 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.588 -179.751 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -89.56 150.06 43.59 Favored Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.006 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -46.69 170.35 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.184 1.922 . . . . 0.0 112.046 178.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 943' ' ' GLU . . . . . 0.408 ' OE2' ' OG ' ' A' ' 90' ' ' SER . 87.2 tt0 -123.36 84.57 52.22 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.054 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.08 142.53 94.23 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.9 -177.54 3.23 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.543 2.162 . . . . 0.0 111.759 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.07 153.42 42.56 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.062 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.74 128.74 19.19 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.68 1.587 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -149.49 148.78 29.81 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -85.88 135.75 33.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.958 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 950' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' B' ' 950' ' ' TYR . 3.1 t80 -99.16 96.28 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.468 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 951' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.9 mt -124.96 126.0 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.939 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.79 81.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.225 0.536 . . . . 0.0 109.968 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 953' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.663 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -60.44 -39.4 87.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.78 109.09 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.524 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' ' 51' ' ' GLN . 90.3 mt -96.94 -48.86 5.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.377 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.81 122.85 53.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.004 0.431 . . . . 0.0 109.936 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -146.67 126.14 13.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.461 ' HE1' ' HE2' ' A' ' 120' ' ' HIS . 0.9 OUTLIER -161.86 -166.81 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.49 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -109.24 156.37 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.418 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.05 140.56 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.62 132.09 10.97 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -86.09 -169.96 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.771 0.32 . . . . 0.0 110.548 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 24.9 mtp -126.84 144.63 50.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.4 t -82.26 121.87 27.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.167 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -108.37 109.39 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.051 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -146.55 128.74 15.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.65 60.03 1.25 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 49.57 62.34 2.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 109.973 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -145.96 125.71 13.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.149 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.43 107.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.806 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 168.81 15.64 Favored Pre-proline 0 N--CA 1.451 -0.38 0 O-C-N 123.82 0.7 . . . . 0.0 110.515 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.44 127.19 24.3 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.641 2.228 . . . . 0.0 112.071 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -82.03 108.48 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.421 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -56.52 -20.8 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -87.12 99.88 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.245 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -78.84 140.72 38.12 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.453 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.85 178.34 16.54 Favored Glycine 0 N--CA 1.46 0.266 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.2 129.99 52.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.814 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 47' ' ' VAL . 14.9 p -98.72 118.07 44.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.593 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 1.4 t80 -126.82 122.63 35.28 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.446 ' CG2' HG23 ' A' ' 57' ' ' ILE . 48.7 mt -126.29 136.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -138.16 144.72 40.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.838 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.586 ' H ' HD12 ' A' ' 23' ' ' LEU . 1.5 tt0 -89.5 127.12 35.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 53' ' ' ASP . 22.2 m -87.97 157.68 18.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.439 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 55' ' ' SER . 94.5 m-20 -59.37 -37.88 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.8 m-20 -61.63 -0.94 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.547 ' C ' HD12 ' A' ' 56' ' ' LEU . 3.0 p 83.02 18.31 0.26 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.729 HD21 ' CE2' ' A' ' 76' ' ' PHE . 11.2 mp -108.38 149.45 28.7 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.592 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.649 HG21 HD21 ' A' ' 128' ' ' LEU . 1.4 mp -100.6 129.13 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 0.0 110.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.6 117.92 30.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.557 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.435 ' HB2' HD12 ' A' ' 75' ' ' ILE . 74.7 t80 -98.61 113.68 25.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.441 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.7 m -121.71 125.37 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.527 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 81.2 t90 -125.07 113.76 18.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.103 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 156.47 23.6 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.062 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.2 m-20 -86.59 130.52 34.46 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -68.97 -38.57 79.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.8 m -63.33 -44.24 95.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.8 m -94.23 -29.13 15.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 72.16 16.03 76.81 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -108.98 157.17 18.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.703 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 69' ' ' VAL . 21.8 m -81.8 130.15 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.57 -35.21 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.49 123.25 21.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.405 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.27 113.22 4.5 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.371 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.6 tp -154.99 148.9 25.68 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 110.395 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.481 HG21 HD23 ' A' ' 56' ' ' LEU . 87.4 mt -74.95 139.1 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.435 HD12 ' HB2' ' A' ' 59' ' ' PHE . 82.8 mt -123.59 125.35 71.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.729 ' CE2' HD21 ' A' ' 56' ' ' LEU . 49.0 m-85 -75.68 151.26 84.73 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 19.0 Cg_endo -59.24 132.89 49.3 Favored 'Trans proline' 0 C--N 1.3 -1.993 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.5 t70 79.7 -12.15 1.1 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -61.74 -46.24 90.49 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.893 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.34 124.12 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.634 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -107.72 149.54 28.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.502 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 82' ' ' PHE . 17.2 p90 -100.97 134.06 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -131.23 164.3 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -116.94 139.18 50.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.426 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.749 ' O ' HG13 ' A' ' 85' ' ' VAL . 10.4 p -115.69 90.72 27.46 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.118 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.83 102.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.715 ' NE2' ' CZ ' ' B' ' 948' ' ' PHE . 59.8 mt-30 -102.58 -45.92 4.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.403 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -154.55 156.02 31.19 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.346 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 17.8 Cg_endo -59.27 -35.09 97.87 Favored 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 122.901 2.401 . . . . 0.0 112.479 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.555 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 88.1 p -105.27 6.2 32.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.729 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.616 ' N ' ' SG ' ' A' ' 88' ' ' CYS . . . -133.16 133.3 6.93 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -140.48 154.46 46.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 94' ' ' TYR . 49.9 t -137.34 154.94 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.428 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 96.1 m-85 -103.36 138.06 40.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.446 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.4 t -127.62 126.1 66.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.689 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.9 mt -106.68 138.66 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -125.6 131.43 52.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -89.82 111.66 22.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -26.01 67.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.7 67.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -145.01 -127.89 2.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 m -146.79 19.75 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -71.41 140.58 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.99 130.42 52.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.366 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 106' ' ' PHE . 2.0 tt -119.39 118.73 31.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.616 ' N ' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -110.64 126.08 54.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -154.85 171.78 19.07 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.554 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.4 p-90 -140.04 155.42 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.45 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.08 64.94 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 111.15 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -63.62 -4.93 3.33 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.207 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -60.07 147.58 80.05 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.436 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 -41.03 64.97 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.43 102.42 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.705 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -112.1 1.02 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.12 -15.91 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -117.98 15.55 14.23 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 47.3 p-10 -63.06 -32.28 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 88.8 tt0 -63.31 -47.35 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.8 -41.61 97.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.461 ' HE2' ' HE1' ' A' ' 26' ' ' PHE . 62.5 m80 -64.36 -44.19 92.18 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.62 -40.59 88.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -71.43 -40.48 70.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -69.04 -43.25 75.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -31.92 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 129' ' ' ASN . 26.4 t-20 -65.55 -44.03 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.254 0.55 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.87 -43.47 98.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.631 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.06 -40.83 97.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.649 HD21 HG21 ' A' ' 57' ' ' ILE . 72.4 mt -83.07 -14.94 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 125' ' ' ASN . 25.4 t-20 -106.03 6.93 31.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.707 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -69.11 148.21 97.65 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.653 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.48 145.49 58.94 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.648 2.232 . . . . 0.0 112.229 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -93.22 118.06 67.62 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.656 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.07 155.41 52.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.63 2.22 . . . . 0.0 112.451 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.98 -177.64 1.71 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.978 2.452 . . . . 0.0 112.052 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.75 152.4 44.74 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-O 121.049 0.452 . . . . 0.0 110.611 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.37 128.22 24.26 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 122.911 2.407 . . . . 0.0 112.258 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 948' ' ' PHE . . . . . 0.715 ' CZ ' ' NE2' ' A' ' 87' ' ' GLN . 33.5 p90 -148.62 149.74 32.04 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.913 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.92 119.95 28.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -84.59 114.92 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 951' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 953' ' ' ASP . 8.3 tt -128.81 107.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 952' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 53.9 p-10 -53.03 80.84 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 953' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 951' ' ' ILE . 38.1 p30 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.527 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -145.74 66.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.337 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -118.79 111.11 18.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.101 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -55.03 3.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.656 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.536 HG11 HG22 ' A' ' 124' ' ' VAL . 60.5 t -120.67 126.33 75.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.206 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 3.2 pp20? -154.66 138.53 16.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 61.0 m-85 -160.62 166.45 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 99.7 mtt180 -91.37 152.48 20.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.29 152.84 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.04 138.38 14.92 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' NZ ' ' CE1' ' A' ' 106' ' ' PHE . 37.8 tttm -89.94 163.82 14.81 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.491 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -105.12 142.19 35.34 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.155 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.9 m -76.99 129.95 36.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.08 109.88 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -143.46 126.52 16.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.22 65.41 0.6 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 p 44.67 63.25 1.75 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.132 0.492 . . . . 0.0 110.008 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 m -149.01 114.25 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.291 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.29 114.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.77 162.41 52.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.62 121.37 9.91 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.002 1.801 . . . . 0.0 112.157 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -96.84 145.94 25.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.67 -8.03 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.601 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -73.21 109.35 6.68 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.377 0.608 . . . . 0.0 110.786 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -83.29 132.99 35.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.815 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.06 152.05 17.97 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -114.19 126.1 54.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -98.46 118.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.687 0.279 . . . . 0.0 111.065 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.13 121.77 36.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.239 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.7 mt -134.48 135.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.567 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -144.8 138.82 27.37 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.639 178.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -107.75 128.73 54.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.694 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 164.56 12.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.485 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.28 -2.27 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.0 t0 -70.86 -12.32 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.577 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER 85.97 47.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.133 0.492 . . . . 0.0 110.053 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.99 155.49 6.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mt -115.39 137.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -97.2 123.07 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.767 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -105.72 118.14 35.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.729 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -124.96 132.02 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.557 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.491 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 37.3 t90 -124.82 110.46 14.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 109.884 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -112.79 137.89 50.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.068 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 67' ' ' GLY . 98.0 m-20 -83.28 124.58 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.401 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 78.8 mtp180 -70.28 -36.38 74.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -62.81 -38.12 89.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.781 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.8 p -103.7 -23.69 13.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.601 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 69.31 15.94 70.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.84 142.77 42.43 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -67.9 131.91 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.95 -40.52 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -137.94 125.93 22.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.54 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -150.92 108.28 3.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 73' ' ' LEU . 10.4 tp -154.99 150.11 26.99 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 110.025 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.2 mt -72.43 144.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.77 122.23 67.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.403 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -98.19 150.27 36.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.519 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.43 ' O ' ' OD1' ' A' ' 79' ' ' ASP . 76.3 Cg_exo -48.75 145.55 12.74 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.057 1.838 . . . . 0.0 111.944 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 77.72 -16.93 0.61 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.774 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 77' ' ' PRO . 1.8 m-20 -100.07 81.81 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.441 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 171.05 82.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.267 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -99.53 129.49 45.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.065 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -110.22 147.35 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.38 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.75 144.13 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.92 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.3 ptt85 -119.63 138.14 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.21 90.35 23.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.452 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.13 84.01 1.81 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.628 2.218 . . . . 0.0 112.281 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -90.13 -40.65 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.54 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.5 p -162.08 147.08 9.99 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.33 -13.05 38.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.659 2.24 . . . . 0.0 112.168 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -60.51 -40.36 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.39 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.62 149.22 20.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.68 145.21 51.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.02 148.09 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.527 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.62 142.72 46.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -118.13 126.64 75.1 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -109.33 129.6 55.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.2 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -115.34 111.22 20.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 109.973 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.547 ' O ' ' N ' ' A' ' 102' ' ' SER . 94.2 m-85 -91.98 117.17 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -70.89 -25.23 62.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.34 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.54 -2.26 8.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 98' ' ' PHE . 50.9 m 48.07 53.83 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.269 . . . . 0.0 110.464 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -128.43 150.84 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.593 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -110.44 119.37 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.635 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tp -103.82 127.35 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.501 ' CE1' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -110.49 115.48 29.71 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.721 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -154.69 164.48 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 110' ' ' GLN . 6.0 p-90 -142.14 160.55 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.97 63.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.489 0.661 . . . . 0.0 110.463 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 108' ' ' TRP . 21.7 tm0? -62.86 -17.22 61.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.757 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.436 ' HG2' ' H ' ' A' ' 113' ' ' LYS . 76.7 tt0 -56.18 132.92 75.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.085 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.68 -16.28 51.89 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 122.26 1.973 . . . . 0.0 113.123 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.436 ' H ' ' HG2' ' A' ' 111' ' ' GLU . 11.3 mmtm -90.0 97.16 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.11 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.6 p -118.16 33.91 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.914 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.56 -15.79 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.255 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.74 26.0 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.166 0.508 . . . . 0.0 110.416 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.83 -40.44 92.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.364 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.28 -44.56 91.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.818 0.342 . . . . 0.0 110.634 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -68.91 -42.34 77.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.688 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.606 ' O ' HG23 ' A' ' 124' ' ' VAL . 7.2 m-70 -66.11 -42.54 89.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.94 -48.54 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -66.86 -40.66 87.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.502 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -64.85 -43.65 92.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.684 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 120' ' ' HIS . 66.8 t -65.63 -45.22 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.682 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.425 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 130' ' ' ASN . 87.7 tt0 -64.61 -42.03 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -69.16 -36.33 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.962 0.41 . . . . 0.0 110.632 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.31 -43.45 64.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.444 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -108.88 -46.43 3.62 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.434 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 126' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.655 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.174 0.512 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 66.64 112.88 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.604 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 942' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' B' ' 943' ' ' GLU . 60.1 Cg_endo -74.83 141.08 26.72 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.939 1.759 . . . . 0.0 111.721 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 943' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 942' ' ' PRO . 9.2 mm-40 6.18 73.09 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.743 0 O-C-N 124.117 0.886 . . . . 0.0 111.283 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.88 142.27 98.25 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.159 1.906 . . . . 0.0 112.597 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.87 -177.18 2.41 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.528 2.152 . . . . 0.0 111.36 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -128.12 150.38 73.69 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.514 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.08 128.71 30.1 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.909 1.739 . . . . 0.0 112.716 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 948' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 24.9 p90 -152.24 144.84 24.2 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.16 132.7 34.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 0.0 111.114 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -97.47 111.14 23.53 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.344 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 951' ' ' ILE . . . . . 0.55 ' O ' HG23 ' B' ' 951' ' ' ILE . 21.4 tt -132.38 122.57 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.614 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -56.26 81.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.43 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 953' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.5 m-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.637 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.1 p30 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -65.57 -38.91 90.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.18 122.6 26.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.352 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 23' ' ' LEU . 1.9 mm? -102.49 -62.69 1.24 Allowed 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -125.55 122.5 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.258 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 21.8 pt-20 -149.8 129.18 12.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 69.7 m-85 -154.79 167.92 28.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 2.4 mpt_? -86.34 156.26 20.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.67 144.63 20.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 110.583 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.16 145.64 16.31 Favored Glycine 0 N--CA 1.466 0.676 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.481 ' CE ' HD11 ' A' ' 105' ' ' LEU . 1.1 mmmp? -92.94 -174.67 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.593 0.235 . . . . 0.0 110.534 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.5 mtp -127.5 141.97 51.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.529 ' OG ' ' CE ' ' A' ' 34' ' ' LYS . 8.8 t -78.14 125.06 28.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.2 118.44 36.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.25 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.529 ' CE ' ' OG ' ' A' ' 32' ' ' SER . 8.1 ptpt -156.4 134.23 11.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.56 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 36.35 57.55 1.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 48.85 62.4 2.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.234 0.54 . . . . 0.0 109.844 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 m -146.88 121.53 9.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.238 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 t -113.26 116.93 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.719 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.87 172.14 6.83 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.615 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.88 127.91 28.07 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.587 2.191 . . . . 0.0 112.246 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -96.3 116.59 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -52.83 -23.88 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.37 129.15 37.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -110.57 143.81 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.45 175.53 17.8 Favored Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 tt -126.47 125.78 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.717 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.34 121.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.49 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -127.99 123.64 35.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 57' ' ' ILE . 76.6 mt -127.91 138.69 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.129 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.25 149.27 29.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -95.15 131.92 40.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -75.51 -153.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 179.621 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' H ' HG22 ' A' ' 52' ' ' THR . 97.2 m-20 -99.9 -16.18 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -98.37 15.27 25.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.606 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.23 23.41 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.291 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 57' ' ' ILE . 9.7 mp -100.1 133.18 44.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.651 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -94.98 127.27 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' NE2' ' OD1' ' A' ' 72' ' ' ASP . 7.1 t-160 -98.71 120.97 40.04 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.228 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -101.03 112.46 24.92 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t -121.39 130.59 53.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -124.04 112.2 16.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.512 ' HG2' HG12 ' A' ' 69' ' ' VAL . 12.0 mtpt -103.3 160.03 15.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.789 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' GLY . 97.7 m-20 -99.09 124.05 43.82 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -70.67 -29.22 65.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.929 0.395 . . . . 0.0 110.421 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.4 p -76.83 -30.04 56.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -106.82 -35.94 6.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 80.98 11.89 83.26 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -111.63 153.45 26.34 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.512 HG12 ' HG2' ' A' ' 62' ' ' LYS . 32.7 m -73.27 122.22 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.56 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -98.18 -39.73 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -139.32 128.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 14.6 t70 -152.07 112.16 4.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.35 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -147.57 144.73 28.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 120.879 0.371 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.99 141.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 79' ' ' ASP . 96.6 mt -120.47 124.69 73.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 78' ' ' ASP . 55.3 m-85 -89.53 141.7 28.92 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.971 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 51.4 Cg_exo -45.59 74.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.986 2.457 . . . . 0.0 112.601 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER 157.45 -35.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.815 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 75' ' ' ILE . 63.5 t0 -82.15 84.19 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER 162.26 102.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.719 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -106.17 127.76 53.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -110.52 140.3 44.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.381 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -138.7 162.36 34.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -117.99 140.51 49.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.411 HG23 ' HB ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -115.34 90.39 24.62 Favored Pre-proline 0 C--O 1.234 0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.226 179.225 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -50.63 103.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.609 2.206 . . . . 0.0 112.113 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.796 ' NE2' HG23 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -113.73 -41.41 3.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.678 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 91' ' ' GLY . 53.8 t -135.06 129.34 18.96 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -48.38 -34.51 25.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.575 2.184 . . . . 0.0 112.093 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -102.94 -2.44 27.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -138.81 129.42 4.47 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -131.63 135.11 46.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.328 . . . . 0.0 110.527 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.796 HG23 ' NE2' ' A' ' 87' ' ' GLN . 11.4 t -96.3 143.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -107.18 141.28 38.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.439 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.2 138.45 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.666 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 mt -112.05 130.24 55.94 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -114.53 117.21 30.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -89.93 117.34 28.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.151 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.04 -22.33 66.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.71 -30.15 56.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.456 ' C ' ' N ' ' A' ' 103' ' ' LYS . . . -119.56 -1.62 13.53 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.609 ' N ' ' O ' ' A' ' 98' ' ' PHE . 16.9 m 48.45 13.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.701 0.286 . . . . 0.0 110.362 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.456 ' N ' ' C ' ' A' ' 101' ' ' GLY . 6.8 pttt -81.78 158.66 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.4 ' HD2' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -124.32 111.91 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.324 0.39 . . . . 0.0 110.346 -179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD11 ' CE ' ' A' ' 30' ' ' LYS . 58.1 tp -94.1 130.29 40.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -110.24 127.97 55.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -154.65 164.03 39.35 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.401 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.546 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.7 p-90 -133.77 153.43 51.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 mmm -69.28 63.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -9.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.248 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.38 144.8 91.58 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.99 -20.98 50.35 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.853 2.368 . . . . 0.0 112.332 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -92.32 74.53 5.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 114' ' ' THR . 2.2 t -96.5 0.55 50.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.94 -24.66 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -114.47 26.57 10.12 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.13 -40.84 86.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -70.5 -46.06 64.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.53 -39.97 88.89 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.842 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.55 ' O ' HG23 ' A' ' 124' ' ' VAL . 58.3 t-80 -61.9 -48.24 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -63.62 -45.18 91.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -64.33 -44.93 90.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -63.15 -43.43 98.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.415 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.1 t -62.97 -42.88 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.011 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -66.64 -37.8 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.967 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 130' ' ' ASN . 88.4 tt0 -60.59 -46.63 89.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.566 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -66.16 -43.42 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 57' ' ' ILE . 45.0 mt -65.19 -40.34 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.53 9.84 42.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.53 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 126' ' ' GLU . 98.5 m-20 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.502 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 64.12 72.09 0.55 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 0.0 110.552 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.36 171.92 16.69 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 123.003 2.468 . . . . 0.0 112.04 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 943' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' B' ' 943' ' ' GLU . 39.2 mp0 -116.58 94.37 43.15 Favored Pre-proline 0 C--O 1.233 0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.88 150.23 30.86 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.736 2.29 . . . . 0.0 112.294 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.38 -178.57 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.986 2.457 . . . . 0.0 112.124 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -114.5 149.14 41.71 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.681 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.63 129.36 23.39 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.505 2.137 . . . . 0.0 112.266 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.95 146.82 26.52 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.06 130.19 34.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -96.21 107.9 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.361 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 951' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.9 tt -132.53 120.11 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.24 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -48.45 81.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.139 0.495 . . . . 0.0 110.974 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 953' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.8 p-10 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.483 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -148.68 92.71 2.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.306 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.64 118.03 33.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -104.11 -50.02 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.313 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.666 HG11 HG22 ' A' ' 124' ' ' VAL . 60.3 t -133.42 127.53 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.992 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 26.0 pt-20 -162.91 140.43 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER 178.95 173.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -80.54 160.39 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.476 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.72 158.42 35.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.288 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.59 126.73 7.39 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -93.9 -167.48 1.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.728 0.299 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.673 ' HE2' HG12 ' A' ' 38' ' ' VAL . 80.4 mtp -134.2 143.57 47.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.179 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' THR . 49.7 m -76.5 140.51 41.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 33' ' ' LEU . 27.6 tp -124.28 109.19 13.06 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' GLY . 38.2 mtmt -132.29 129.04 39.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.989 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 32.17 64.49 0.24 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.4 64.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.202 0.525 . . . . 0.0 109.65 -177.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 m -151.31 105.46 3.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.641 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.673 HG12 ' HE2' ' A' ' 31' ' ' MET . 16.1 t -97.93 117.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.676 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -139.38 167.63 18.16 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 179.732 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.01 131.25 43.55 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.823 1.682 . . . . 0.0 112.739 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -92.67 114.9 27.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.301 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.67 -20.0 64.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -88.77 121.74 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.423 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -85.34 150.66 24.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.415 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -120.97 171.38 14.8 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tp -116.32 116.83 28.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.36 118.73 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.42 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 25' ' ' GLU . 2.5 m-85 -125.56 122.48 36.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.341 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.45 HG23 HG23 ' A' ' 57' ' ' ILE . 57.9 mt -130.78 132.5 64.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.06 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.24 149.26 39.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.463 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -105.7 131.26 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -105.41 153.98 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.98 -10.92 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.427 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -73.88 1.36 10.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.633 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 71.82 48.92 0.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 pp -160.92 142.59 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.03 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.45 HG23 HG23 ' A' ' 49' ' ' ILE . 1.7 mp -98.69 134.12 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.606 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -98.29 123.09 42.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.882 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -104.56 118.18 35.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.299 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -122.33 127.82 50.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -118.69 110.3 17.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.703 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -109.75 154.33 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.36 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' SER . 3.8 m-20 -88.94 89.77 8.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -38.97 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 63' ' ' ASP . 100.0 m -61.02 -44.79 96.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.124 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ASP . 92.2 p -108.82 -16.03 14.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.54 13.76 74.55 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -98.46 156.45 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 111.204 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 69' ' ' VAL . 6.3 m -80.05 125.5 38.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -106.03 -34.66 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -151.36 132.3 14.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 42.0 p-10 -151.12 122.62 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -149.08 141.03 23.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.925 0.393 . . . . 0.0 110.065 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -74.87 137.73 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.627 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -120.61 122.74 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.942 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.38 167.39 11.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.549 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 79' ' ' ASP . 44.9 Cg_exo -57.76 144.22 93.79 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.174 1.916 . . . . 0.0 112.07 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 1.3 t0 75.6 -25.68 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 77' ' ' PRO . 63.1 t0 -89.09 69.6 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.517 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.92 105.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.43 117.23 30.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 82' ' ' PHE . 54.2 p90 -102.93 121.56 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.197 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 162.85 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -117.73 147.38 43.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.269 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 85' ' ' VAL . 11.8 p -107.71 107.38 60.25 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.85 125.84 9.02 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.878 1.718 . . . . 0.0 112.455 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.539 ' OE1' ' CD2' ' B' ' 948' ' ' PHE . 57.0 mt-30 -112.08 -31.74 6.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -150.45 168.68 10.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.484 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.88 -41.53 62.66 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 122.337 2.025 . . . . 0.0 112.553 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.445 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 90.3 p -107.58 172.93 6.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.9 152.25 28.64 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -130.24 132.81 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.47 140.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.524 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -117.35 139.44 50.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.49 124.59 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.0 130.44 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.726 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -110.57 113.14 25.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.519 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' A' ' 102' ' ' SER . 96.6 m-85 -88.64 107.75 19.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.73 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -66.25 -21.68 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.59 13.28 2.0 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 98' ' ' PHE . 62.4 m 48.31 45.89 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -97.37 141.81 30.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.567 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -114.5 126.06 54.51 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.216 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -123.39 140.4 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -120.53 122.82 41.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -154.27 163.89 39.43 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.241 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.561 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 4.1 p-90 -143.23 156.68 44.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.019 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.548 ' C ' ' H ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -67.91 64.11 0.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.883 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.47 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 40.5 tt0 -64.34 8.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.957 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 109' ' ' MET . 88.1 tt0 -102.97 103.51 34.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.193 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.01 -20.5 16.77 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.046 1.831 . . . . 0.0 112.631 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -62.1 -23.84 66.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.227 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 116' ' ' GLN . 98.1 m -59.62 -42.11 91.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.818 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.1 t0 51.49 0.71 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.281 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.707 ' H ' HG22 ' A' ' 114' ' ' THR . 73.6 mt-30 -133.2 30.95 3.87 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.824 0.345 . . . . 0.0 110.421 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 117' ' ' ASP . 63.6 t0 -55.12 -38.88 68.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -62.52 -45.73 91.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 0.0 110.58 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -73.1 -33.68 65.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.442 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -60.58 -46.15 91.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.739 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' CYS . . . . . 0.411 ' O ' ' OD1' ' A' ' 125' ' ' ASN . 48.6 t -63.12 -45.81 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.954 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -61.76 -40.6 95.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.262 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -67.61 -43.77 79.64 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.002 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.666 HG22 HG11 ' A' ' 24' ' ' VAL . 53.1 t -64.18 -40.68 89.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.959 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 121' ' ' CYS . 28.3 m120 -62.34 -42.04 99.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.704 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -34.51 75.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -65.67 -48.54 71.76 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.93 -37.29 81.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.711 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.2 -2.11 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.672 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 941' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' B' ' 942' ' ' PRO . 2.2 mt-10 -62.64 -50.62 77.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 942' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 941' ' ' GLU . 59.7 Cg_endo -74.74 157.16 44.05 Favored 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 122.384 2.056 . . . . 0.0 111.737 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 943' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' B' ' 944' ' ' PRO . 0.2 OUTLIER -131.51 145.3 57.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.35 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 944' ' ' PRO . . . . . 0.468 ' O ' ' OE1' ' B' ' 943' ' ' GLU . 55.2 Cg_endo -71.31 146.8 51.69 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.956 1.771 . . . . 0.0 112.951 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.27 -177.19 2.54 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.564 2.176 . . . . 0.0 111.914 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -118.46 148.62 44.41 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.315 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.0 129.07 23.77 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.861 1.707 . . . . 0.0 112.727 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 948' ' ' PHE . . . . . 0.539 ' CD2' ' OE1' ' A' ' 87' ' ' GLN . 29.3 p90 -153.36 143.6 22.32 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -87.45 132.15 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.76 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -95.02 108.97 21.05 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.468 0.651 . . . . 0.0 109.941 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 951' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.5 tt -128.95 126.27 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.714 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 952' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 6.4 t70 -55.17 81.06 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 953' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 951' ' ' ILE . 45.7 p-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.794 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.886 0.374 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -129.04 129.23 45.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.64 -63.62 1.26 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.428 HG11 HG22 ' A' ' 124' ' ' VAL . 85.4 t -123.87 124.52 69.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.952 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -151.83 129.07 11.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.441 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.83 144.55 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.572 ' HE ' ' NH2' ' A' ' 64' ' ' ARG . 81.7 mtt85 -73.58 148.34 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.202 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.45 149.64 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.08 128.27 9.42 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.475 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 63.2 tttm -87.23 156.57 19.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.643 0.259 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.528 ' HE2' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -108.97 138.6 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.533 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' THR . 39.1 t -78.01 112.3 14.78 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 37' ' ' THR . 63.1 tp -117.63 122.18 42.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.426 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.15 133.53 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.896 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.61 -108.23 0.16 Allowed Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -123.32 66.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.135 0.493 . . . . 0.0 110.217 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.469 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -165.51 129.9 2.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.345 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.716 HG12 ' O ' ' B' ' 948' ' ' PHE . 9.9 p -126.82 144.96 35.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.85 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -164.23 161.08 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 122.461 -0.149 . . . . 0.0 110.732 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.11 125.88 19.88 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 121.851 1.701 . . . . 0.0 110.774 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.96 137.48 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 0.0 110.607 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -21.12 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.778 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.526 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 31.9 ttp-105 -92.33 98.49 11.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.18 0.514 . . . . 0.0 110.331 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -74.54 153.32 39.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.119 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 179.06 16.93 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 tt -129.33 129.9 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.708 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.36 122.42 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -128.13 124.95 38.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.602 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 57' ' ' ILE . 77.8 mt -129.81 136.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.661 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 3.1 pp0? -147.33 149.68 33.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.534 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -92.27 135.92 33.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.466 . . . . 0.0 111.327 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 p -84.74 -169.87 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -89.89 1.37 56.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -106.72 12.15 29.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.377 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t 71.53 28.56 2.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.84 148.29 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.632 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -100.12 133.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.433 . . . . 0.0 110.38 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -105.08 118.25 36.06 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.643 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -94.9 120.65 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.401 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.4 136.73 52.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.212 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -123.04 109.91 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.147 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.96 167.93 10.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 67' ' ' GLY . 24.8 t0 -101.74 128.43 48.07 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.572 ' NH2' ' HE ' ' A' ' 27' ' ' ARG . 14.9 mmm180 -64.46 -35.53 81.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -84.18 -31.57 25.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.809 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -40.62 7.41 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.009 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 81.81 6.77 88.74 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.381 -1.087 . . . . 0.0 110.381 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -99.95 151.38 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.797 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.463 ' H ' HG22 ' A' ' 69' ' ' VAL . 2.8 m -73.56 101.1 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.151 0.5 . . . . 0.0 110.494 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.43 -40.3 57.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.479 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -142.97 134.33 26.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.979 0.418 . . . . 0.0 111.048 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 50.9 p-10 -151.4 134.42 15.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -160.61 142.96 12.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.922 0.391 . . . . 0.0 110.187 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.0 mt -75.8 131.03 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.632 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 92.6 mt -122.87 127.19 74.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -94.89 133.24 26.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.954 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.32 88.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.822 1.681 . . . . 0.0 112.624 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER 168.95 -42.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.826 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.416 ' C ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -94.56 100.12 12.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 170.15 77.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.529 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -91.85 120.26 32.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -111.63 143.48 42.45 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.867 0.365 . . . . 0.0 110.705 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -134.8 161.62 34.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.233 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -111.68 129.57 56.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.929 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.466 HG23 HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -113.93 93.79 31.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.78 84.46 1.98 Allowed 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.758 1.639 . . . . 0.0 112.489 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' B' ' 946' ' ' GLU . 15.2 pt20 -69.23 -43.53 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 91' ' ' GLY . 45.2 t -152.81 132.42 7.11 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.323 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.42 -39.95 17.08 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.4 1.4 . . . . 0.0 111.551 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.6 t -61.99 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -130.51 138.89 10.51 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 121.123 -0.561 . . . . 0.0 111.746 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -142.81 160.22 40.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.0 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.579 HG22 ' N ' ' A' ' 94' ' ' TYR . 15.0 p -143.78 165.44 14.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.796 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.579 ' N ' HG22 ' A' ' 93' ' ' VAL . 89.0 m-85 -115.52 151.82 34.14 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.768 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.52 133.82 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.324 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 60.8 tp -110.61 123.69 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.958 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -110.77 120.71 43.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.4 m-85 -85.22 126.9 34.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.714 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.33 -24.85 63.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.28 -26.18 18.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 103' ' ' LYS . . . -102.85 -19.12 13.62 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' PHE . 15.8 p 59.47 -0.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.988 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER -81.63 162.31 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.449 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 127.03 52.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.214 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.1 tp -113.51 130.25 56.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.831 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -109.91 125.82 53.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -156.25 168.4 27.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.277 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.546 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 5.2 p-90 -147.52 156.63 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.455 ' SD ' ' SG ' ' A' ' 121' ' ' CYS . 2.1 mtp -69.08 62.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.14 -9.14 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.446 ' HG2' ' H ' ' A' ' 113' ' ' LYS . 87.9 tt0 -60.17 130.14 89.07 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.976 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.61 -27.74 8.19 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.875 1.717 . . . . 0.0 113.087 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.446 ' H ' ' HG2' ' A' ' 111' ' ' GLU . 12.0 mmtm -71.75 50.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.187 0.518 . . . . 0.0 110.455 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.1 m -65.34 -37.37 86.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -56.17 -17.45 7.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.271 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -119.15 22.09 12.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 40.6 p-10 -59.81 -42.63 93.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.019 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 24.4 pt-20 -71.33 -36.0 71.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 110.627 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.46 -42.2 87.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -67.45 -42.13 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.319 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.455 ' SG ' ' SD ' ' A' ' 109' ' ' MET . 93.3 m -65.49 -42.39 92.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.353 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.47 -40.79 96.36 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.256 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.91 67.55 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.243 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.428 HG22 HG11 ' A' ' 24' ' ' VAL . 53.9 t -62.51 -41.06 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.702 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -43.5 98.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.802 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.44 -42.41 92.45 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.754 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.96 -41.1 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.896 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' A' ' 57' ' ' ILE . 19.3 tp -70.73 -40.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.607 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 63.6 t30 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 -179.41 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo . . . . . 0 N--CA 1.493 1.473 0 CA-C-O 120.756 0.231 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.3 108.65 51.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.16 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.11 161.09 32.84 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.962 1.774 . . . . 0.0 113.216 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.58 -174.4 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 123.236 2.624 . . . . 0.0 111.488 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 946' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 87' ' ' GLN . 99.5 mt-10 -128.01 148.61 68.11 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 947' ' ' PRO . . . . . 0.499 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.4 Cg_endo -67.03 134.11 33.19 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 121.362 1.374 . . . . 0.0 114.108 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 948' ' ' PHE . . . . . 0.716 ' O ' HG12 ' A' ' 38' ' ' VAL . 38.5 p90 -154.5 166.7 32.47 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.048 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' B' ' 949' ' ' GLU . 59.1 mp0 -94.01 120.59 34.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.128 0.49 . . . . 0.0 109.723 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -92.88 115.1 27.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.793 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 951' ' ' ILE . . . . . 0.593 ' O ' HG23 ' B' ' 951' ' ' ILE . 17.8 tt -134.23 115.68 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.774 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 952' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 54.3 p-10 -60.92 80.82 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.256 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 953' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 951' ' ' ILE . 68.3 t0 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.915 0.388 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -118.94 70.23 0.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.9 -49.01 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 110.3 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.486 HG13 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -142.41 141.02 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.573 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -151.0 123.92 8.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CE2' ' CE1' ' A' ' 120' ' ' HIS . 66.3 m-85 -138.31 148.74 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.168 0.509 . . . . 0.0 111.39 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.579 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 84.6 mtp180 -82.65 147.37 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.349 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.581 ' HA ' HE22 ' A' ' 110' ' ' GLN . . . -160.81 150.85 17.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.138 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.719 ' N ' ' NE2' ' A' ' 110' ' ' GLN . . . -110.16 142.47 16.55 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.484 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 30.1 tttt -83.86 -163.24 0.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 0.0 110.189 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -138.43 142.51 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -78.23 129.96 35.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.189 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 121.73 41.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.095 0.474 . . . . 0.0 111.121 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -155.37 135.02 12.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.013 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.67 55.35 2.7 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 48.42 64.68 1.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.636 0.731 . . . . 0.0 109.519 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -153.4 114.85 4.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.537 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.79 114.29 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.08 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.494 ' O ' ' SD ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -131.57 175.87 3.35 Favored Pre-proline 0 N--CA 1.451 -0.381 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 179.24 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.36 134.5 52.19 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.185 1.923 . . . . 0.0 112.558 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 30' ' ' LYS . 34.4 p-10 -92.25 138.25 31.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.759 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -80.59 -7.91 59.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.544 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.3 ttm105 -97.5 120.54 38.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.399 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -87.15 143.05 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.934 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.63 175.15 19.15 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.865 HD23 ' N ' ' A' ' 47' ' ' VAL . 3.3 tt -131.2 141.48 50.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.956 0.408 . . . . 0.0 110.801 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.865 ' N ' HD23 ' A' ' 46' ' ' LEU . 82.3 t -106.83 122.36 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.983 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.797 ' CE1' HD22 ' A' ' 46' ' ' LEU . 49.8 m-85 -116.68 130.93 57.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.788 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mm -124.16 127.06 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.57 HE22 ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -135.7 137.89 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.302 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.432 ' HA ' HD12 ' A' ' 57' ' ' ILE . 60.7 tt0 -99.85 128.97 45.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.476 ' OG1' ' NE2' ' A' ' 58' ' ' HIS . 6.2 m -93.83 156.16 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.583 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.2 -26.18 68.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 55' ' ' SER . 56.2 m-20 -68.95 -2.96 11.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.664 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER 82.42 26.27 0.16 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.103 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 55' ' ' SER . 11.0 mp -119.24 142.87 47.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 51' ' ' GLN . 1.4 tp -100.13 147.84 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.19 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.57 ' CD2' HE22 ' A' ' 50' ' ' GLN . 4.7 m-70 -114.33 124.68 52.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -109.18 112.55 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.47 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.0 t -120.67 130.5 54.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -108.93 112.4 24.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.168 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -106.94 139.05 41.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.372 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 67' ' ' GLY . 59.3 t0 -82.03 118.43 22.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.474 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.579 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 32.5 mtp180 -68.26 -37.82 81.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.517 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.2 m -60.87 -45.36 94.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.7 m -94.22 -25.15 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.101 0.476 . . . . 0.0 110.42 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 73.33 14.01 79.5 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -114.82 154.58 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.693 0.282 . . . . 0.0 111.153 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG22 ' H ' ' A' ' 69' ' ' VAL . 2.0 m -65.65 123.27 18.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.9 -44.56 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.735 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -159.89 150.28 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -152.01 148.42 27.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.236 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.73 142.55 12.35 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.026 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -83.12 136.19 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.696 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.8 mt -119.69 129.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.546 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.74 153.64 61.07 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.918 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 79' ' ' ASP . 69.2 Cg_exo -51.4 142.84 36.84 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.522 1.481 . . . . 0.0 112.06 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 69.04 -12.85 0.38 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.218 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 77' ' ' PRO . 8.0 t70 -89.62 77.56 7.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.038 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.77 101.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.392 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -102.44 132.76 48.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -104.77 137.64 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.262 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.92 147.76 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -119.05 135.05 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.406 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 85' ' ' VAL . 28.2 m -116.17 90.95 30.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.795 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.92 112.6 1.02 Allowed 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.191 1.927 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.65 HE22 ' CG2' ' A' ' 93' ' ' VAL . 2.2 mt-30 -113.63 -37.17 4.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.499 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.85 157.93 46.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.781 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -29.88 31.97 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.612 2.208 . . . . 0.0 112.292 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.5 m -105.41 -3.7 22.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.83 148.37 18.8 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -141.1 130.68 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.724 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.65 ' CG2' HE22 ' A' ' 87' ' ' GLN . 84.3 t -131.31 133.39 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.657 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -109.24 130.36 55.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.248 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.42 122.38 68.0 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.67 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 96' ' ' LEU . 53.9 mt -106.98 129.81 54.72 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.384 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -116.93 132.07 56.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.358 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -86.87 112.0 21.33 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -61.52 -33.12 73.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.0 69.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.322 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.93 -129.26 3.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.508 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 52.6 p -156.97 25.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.607 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -86.26 140.29 30.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 102' ' ' SER . 4.5 mpt_? -122.49 129.53 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.291 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 106' ' ' PHE . 1.4 tt -110.44 132.25 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.942 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.721 ' N ' HD23 ' A' ' 105' ' ' LEU . 31.1 m-85 -112.17 120.29 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -151.72 164.7 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.583 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.536 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.0 p-90 -143.65 155.37 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.304 0.574 . . . . 0.0 110.624 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.508 ' C ' ' H ' ' A' ' 111' ' ' GLU . 22.0 mmm -80.54 63.16 4.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.096 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.719 ' NE2' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -65.28 2.9 0.73 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.081 0.467 . . . . 0.0 110.271 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 109' ' ' MET . 21.4 pt-20 -61.1 150.36 79.09 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.821 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.76 -29.38 80.41 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.934 1.756 . . . . 0.0 112.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -63.42 -71.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 111.284 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.482 HG23 ' OD2' ' A' ' 117' ' ' ASP . 2.0 m 44.06 27.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -112.66 -7.4 13.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -137.19 25.97 2.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.111 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.482 ' OD2' HG23 ' A' ' 114' ' ' THR . 98.2 m-20 -60.65 -41.12 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.081 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.98 -40.73 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.42 -39.86 74.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.649 ' O ' HG23 ' A' ' 124' ' ' VAL . 48.1 m170 -63.59 -43.48 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.084 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -62.03 -43.52 98.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.755 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -37.7 84.35 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.148 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 120' ' ' HIS . 55.6 t -61.71 -43.41 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 129' ' ' ASN . 98.9 m-20 -65.34 -37.69 87.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.135 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -59.29 -43.12 92.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.061 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -71.22 -34.3 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.8 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.07 -23.95 35.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.617 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 125' ' ' ASN . 58.5 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.31 . . . . 0.0 111.158 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 N--CA 1.49 1.303 0 N-CA-C 111.694 -0.156 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -114.1 94.69 35.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.37 142.83 46.16 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.403 2.069 . . . . 0.0 112.872 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.52 -178.11 2.1 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.501 2.134 . . . . 0.0 111.914 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -110.53 149.71 40.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -60.55 130.8 35.0 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.063 1.842 . . . . 0.0 112.809 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 948' ' ' PHE . . . . . 0.527 ' CE2' ' OE1' ' A' ' 87' ' ' GLN . 45.4 p90 -146.48 153.18 40.12 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.708 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -86.98 126.22 34.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.142 0.496 . . . . 0.0 110.814 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -97.77 97.3 8.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.835 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 951' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 953' ' ' ASP . 3.9 mm -118.78 122.32 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.102 -0.953 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.98 80.12 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.882 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 953' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.1 p-10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.455 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 pttm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.683 0.278 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -127.94 123.03 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 23' ' ' LEU . 13.9 tp -99.7 -49.88 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.689 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.423 HG11 HG22 ' A' ' 124' ' ' VAL . 81.9 t -137.2 129.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.596 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -156.49 133.55 10.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.482 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.605 ' CZ ' ' CE1' ' A' ' 120' ' ' HIS . 79.2 m-85 -154.94 155.71 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -72.32 148.64 45.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -157.36 135.41 10.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.4 . . . . 0.0 110.649 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -88.79 151.82 22.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -96.98 166.52 11.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.657 0.265 . . . . 0.0 110.296 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.4 mtp -124.86 144.48 50.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.347 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.533 ' OG ' ' NZ ' ' A' ' 34' ' ' LYS . 34.7 t -76.96 151.38 35.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' CD2' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -133.88 107.85 8.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.84 0.352 . . . . 0.0 110.63 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' CD ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -134.38 127.48 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 34.2 63.68 0.42 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p 50.24 63.75 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 109.994 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -149.51 113.39 5.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.554 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.454 HG22 ' CD2' ' A' ' 33' ' ' LEU . 36.2 t -103.38 115.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.417 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.77 156.95 70.7 Favored Pre-proline 0 N--CA 1.446 -0.672 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.612 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -49.04 127.74 17.9 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.755 1.637 . . . . 0.0 112.966 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 63.6 t0 -99.01 133.27 43.51 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 26.5 pttm -59.22 -14.85 12.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.388 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -82.32 129.9 34.97 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.878 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -116.8 142.33 47.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.394 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.87 -174.48 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -130.14 138.77 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 111.132 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 28' ' ' ALA . 70.3 t -93.17 122.89 45.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.73 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 120.63 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 57' ' ' ILE . 92.0 mt -131.07 129.8 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.848 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -148.86 140.75 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.022 179.124 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -90.72 126.98 36.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 110.788 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 174.02 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -74.42 -2.85 27.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.709 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.52 12.99 36.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.508 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m 67.15 32.5 6.1 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.9 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 76' ' ' PHE . 67.6 mt -117.5 143.83 45.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.855 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 49' ' ' ILE . 1.6 mp -95.69 120.14 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.169 0.509 . . . . 0.0 110.583 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -88.25 114.47 24.9 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.59 118.12 35.77 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.138 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.2 m -130.99 133.24 45.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -112.17 110.97 21.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.096 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -104.7 135.37 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.133 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 67' ' ' GLY . 45.1 m-20 -77.51 121.9 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.724 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -71.53 -40.72 69.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -38.74 91.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.938 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -99.04 -27.39 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 74.21 12.93 81.63 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -110.85 148.34 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 111.149 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -67.45 139.07 21.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -115.89 -41.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -142.11 135.29 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.797 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 47.0 p-10 -151.23 104.9 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -144.75 142.66 30.19 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.764 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 tp -74.61 140.55 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.94 132.02 72.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.259 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CD2' HD22 ' A' ' 56' ' ' LEU . 25.0 m-85 -87.93 150.72 48.4 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.6 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.459 ' C ' ' H ' ' A' ' 79' ' ' ASP . 50.3 Cg_exo -54.15 142.21 67.34 Favored 'Trans proline' 0 N--CA 1.498 1.735 0 C-N-CA 121.814 1.676 . . . . 0.0 112.178 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 72.48 -17.92 0.36 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.163 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 77' ' ' PRO . 36.3 t0 -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.554 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.7 t -114.67 120.61 40.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.795 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -106.42 137.72 43.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -104.78 143.52 33.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.473 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -135.25 153.74 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.936 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -112.04 126.49 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.284 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 85' ' ' VAL . 33.5 m -115.3 91.19 27.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.08 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.36 119.52 4.2 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 122.419 2.079 . . . . 0.0 111.849 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.33 -36.63 7.54 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 90' ' ' SER . 11.3 p -136.75 151.6 72.82 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.05 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.19 -38.42 41.06 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 122.136 1.891 . . . . 0.0 112.512 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.434 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 40.7 t -103.01 127.88 50.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.67 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 123.51 149.89 7.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.498 ' NH2' ' OD2' ' A' ' 117' ' ' ASP . 86.6 mtm180 -132.89 132.52 42.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.503 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.53 148.91 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -140.87 159.64 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.317 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 105' ' ' LEU . 8.0 p -135.97 142.58 38.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.361 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -104.54 142.3 34.87 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.387 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.33 116.48 25.62 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.075 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.547 ' O ' ' N ' ' A' ' 102' ' ' SER . 41.1 m-85 -89.9 109.54 20.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.36 -10.95 59.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.801 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -93.79 -15.0 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.131 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.99 4.5 2.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 98' ' ' PHE . 25.8 m 49.3 32.32 4.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.831 0.348 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.441 ' HD3' HD21 ' A' ' 105' ' ' LEU . 24.4 ttmt -90.22 141.31 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -120.67 119.41 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.705 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 95' ' ' VAL . 89.4 mt -114.63 139.21 49.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.452 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -116.54 126.22 53.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.621 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -142.21 161.82 37.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.514 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.8 p-90 -144.38 155.91 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.531 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.9 mmm -77.11 62.76 2.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.947 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -8.31 7.43 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.028 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.31 148.91 78.27 Favored Pre-proline 0 N--CA 1.445 -0.683 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.405 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.09 -43.78 46.26 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 121.976 1.784 . . . . 0.0 112.999 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt 177.84 -172.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.506 ' C ' ' H ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -169.48 -18.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 179.697 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 61.29 -2.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' A' ' 114' ' ' THR . 95.7 mt-30 -136.41 27.34 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.313 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.498 ' OD2' ' NH2' ' A' ' 92' ' ' ARG . 65.9 t0 -59.13 -43.79 92.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.36 -46.16 87.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.96 -40.45 91.29 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 124' ' ' VAL . 50.4 m170 -65.21 -46.72 79.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.79 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.61 -48.08 78.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -63.46 -45.01 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.755 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -41.92 94.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.2 t -63.7 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.452 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.4 -42.4 98.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.861 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -66.46 -41.74 88.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.924 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -61.43 -44.25 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 57' ' ' ILE . 3.4 tp -74.79 -24.17 58.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.58 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 58.5 t30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.706 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 N--CA 1.497 1.727 0 CA-C-O 120.645 0.186 . . . . 0.0 111.926 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 943' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' B' ' 943' ' ' GLU . 56.6 mp0 -117.64 86.56 23.86 Favored Pre-proline 0 C--O 1.236 0.348 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 944' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 945' ' ' PRO . 51.3 Cg_exo -53.91 133.24 53.84 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.191 1.928 . . . . 0.0 113.089 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 945' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 944' ' ' PRO . 50.4 Cg_exo -48.43 -175.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.679 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -119.67 149.27 47.88 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.116 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.04 128.32 21.88 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.021 1.814 . . . . 0.0 113.039 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 948' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 23.3 p90 -153.27 145.91 24.24 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' B' ' 949' ' ' GLU . 34.2 mp0 -86.36 132.14 34.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.813 0.339 . . . . 0.0 111.152 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.53 111.65 23.69 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.244 0.545 . . . . 0.0 110.203 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 951' ' ' ILE . . . . . 0.535 ' O ' HG23 ' B' ' 951' ' ' ILE . 18.2 tt -130.46 120.0 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.148 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.49 81.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.209 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 953' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 25' ' ' GLU . 3.8 m-30 -87.08 94.92 9.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.5 tp -100.16 -43.71 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.275 0.559 . . . . 0.0 109.869 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.0 t -139.51 135.32 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.425 ' OE1' ' CD2' ' A' ' 22' ' ' TYR . 8.8 pt-20 -164.03 149.35 10.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE2' ' OE1' ' A' ' 111' ' ' GLU . 2.8 t80 -171.85 150.09 2.57 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.692 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -75.33 155.0 37.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.21 156.14 30.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.195 0.522 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 141.61 16.62 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.188 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -100.42 163.1 12.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.421 ' SD ' HG11 ' A' ' 93' ' ' VAL . 80.4 mtp -113.69 140.66 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.503 ' OG ' ' NZ ' ' A' ' 34' ' ' LYS . 25.2 t -77.75 122.98 26.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -111.57 121.77 46.03 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.992 0.425 . . . . 0.0 110.957 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.503 ' NZ ' ' OG ' ' A' ' 32' ' ' SER . 5.0 ptpt -153.42 139.15 17.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.475 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.27 3.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.57 64.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.57 0.7 . . . . 0.0 109.514 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m -151.39 106.39 3.29 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.822 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.9 t -95.92 106.48 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.351 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -127.24 158.71 68.43 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.43 126.96 20.49 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 121.61 1.54 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -85.09 143.67 28.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.09 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.38 -9.35 59.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -87.55 126.07 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.798 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -85.84 152.86 22.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.36 163.72 25.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 47' ' ' VAL . 4.4 tt -125.88 134.35 51.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.805 0.336 . . . . 0.0 110.44 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.797 ' N ' HD23 ' A' ' 46' ' ' LEU . 97.0 t -99.69 120.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.323 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.676 ' CD1' HD22 ' A' ' 46' ' ' LEU . 6.1 m-85 -120.13 124.97 47.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.363 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.53 HG23 HG23 ' A' ' 57' ' ' ILE . 77.7 mt -129.0 130.95 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.182 0.515 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -145.53 138.79 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.614 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -94.14 129.53 40.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -78.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -179.37 -22.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.54 26.96 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m 70.9 26.09 3.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 57' ' ' ILE . 85.5 mt -109.25 136.85 48.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.53 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -103.6 133.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.183 0.516 . . . . 0.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -98.81 110.26 22.89 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.48 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -94.58 116.89 29.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.126 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -122.51 130.83 53.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.476 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -112.17 110.31 20.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HG3' HG12 ' A' ' 69' ' ' VAL . 45.3 mttt -103.18 147.33 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.02 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 67' ' ' GLY . 7.8 m-20 -96.98 124.48 40.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.504 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -66.78 -40.59 88.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.076 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.1 m -65.0 -45.47 85.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.7 m -86.55 -29.16 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.087 0.47 . . . . 0.0 110.152 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.13 16.36 75.03 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -122.71 163.78 19.5 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.121 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG12 ' HG3' ' A' ' 62' ' ' LYS . 29.0 m -75.27 126.21 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.04 -40.46 9.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.69 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -151.73 138.64 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 51.8 p-10 -150.74 131.18 13.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.33 151.05 16.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.993 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.0 mt -81.83 134.83 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.64 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.07 125.16 74.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.006 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -71.26 152.67 94.37 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.198 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 24.5 Cg_endo -62.52 140.48 81.93 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 121.486 1.457 . . . . 0.0 111.083 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 7.2 t0 76.65 -13.82 0.89 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.43 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -87.42 77.31 8.9 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.198 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 79' ' ' ASP . 0.8 OUTLIER 171.25 97.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.378 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.3 tm-20 -82.27 131.99 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.463 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.6 p90 -115.67 134.56 54.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.945 0.402 . . . . 0.0 110.6 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -143.38 167.66 21.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.56 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -114.83 145.55 42.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.562 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.31 91.05 31.55 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 108.36 0.55 Allowed 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.909 1.74 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CG ' ' B' ' 948' ' ' PHE . 91.7 mm-40 -113.49 -26.12 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -149.75 152.91 35.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.65 -22.74 70.13 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.409 2.073 . . . . 0.0 112.019 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.1 t -114.82 112.46 22.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.05 163.96 37.87 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -164.61 167.56 19.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 110.61 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.421 HG11 ' SD ' ' A' ' 31' ' ' MET . 27.5 m -119.18 155.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.81 143.18 34.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 95' ' ' VAL . 6.1 p -123.58 130.45 74.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 81' ' ' GLU . 1.3 mm? -110.53 121.23 44.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.209 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.99 128.05 55.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.367 0.417 . . . . 0.0 110.103 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CE1' ' NZ ' ' A' ' 103' ' ' LYS . 66.3 m-85 -87.42 119.48 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -64.8 -35.57 81.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.167 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.35 70.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.78 -148.09 7.27 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 p -142.27 11.85 1.95 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.839 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.424 ' NZ ' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -82.23 154.39 25.44 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.678 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.439 ' NE ' ' OH ' ' B' ' 950' ' ' TYR . 0.0 OUTLIER -133.82 137.96 45.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.127 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 107' ' ' PHE . 1.1 mm? -116.16 149.85 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -115.1 115.62 27.08 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.257 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 105' ' ' LEU . 65.1 m-85 -137.22 152.47 49.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.212 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.461 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 4.3 p-90 -149.61 155.75 40.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.43 ' O ' ' CG2' ' A' ' 114' ' ' THR . 0.0 OUTLIER -71.65 62.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.207 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.56 -23.63 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.504 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 114' ' ' THR . 87.9 tt0 -46.55 124.24 7.5 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.88 -25.87 16.76 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.503 2.135 . . . . 0.0 113.393 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 115' ' ' ASP . 25.1 mtpp -61.97 -45.05 95.35 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.418 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' GLU . 1.9 p 22.02 40.86 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.066 0.854 . . . . 0.0 111.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 113' ' ' LYS . 97.8 m-20 -101.53 -28.56 12.47 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -122.15 27.13 8.16 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.131 0.491 . . . . 0.0 110.146 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 34.7 p-10 -58.88 -38.47 78.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.88 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 98.9 mt-10 -65.36 -41.87 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.41 -40.47 81.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 124' ' ' VAL . 47.7 m-70 -64.05 -42.69 96.96 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.776 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 118' ' ' GLU . 22.3 p -69.76 -37.19 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.919 0.39 . . . . 0.0 110.277 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . 0.409 ' N ' ' SG ' ' A' ' 121' ' ' CYS . 24.0 mmt180 -73.1 -41.77 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.099 0.476 . . . . 0.0 110.184 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -67.79 -43.59 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.904 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 120' ' ' HIS . 33.0 m -69.53 -37.81 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.452 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.41 ' N ' HG23 ' A' ' 124' ' ' VAL . 45.0 t30 -61.58 -44.22 97.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.017 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.96 -44.11 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.03 -42.3 89.79 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.424 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.401 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 tp -75.66 -29.57 59.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 110.604 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.562 -179.865 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 N--CA 1.496 1.634 0 CA-C-O 120.867 0.278 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 943' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' B' ' 943' ' ' GLU . 0.8 OUTLIER -100.06 108.08 50.24 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.595 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 944' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 945' ' ' PRO . 83.9 Cg_exo -50.69 131.25 32.89 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.075 1.85 . . . . 0.0 112.369 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 945' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 944' ' ' PRO . 52.3 Cg_exo -48.72 -177.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.812 1.675 . . . . 0.0 112.193 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 946' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' B' ' 946' ' ' GLU . 40.3 mp0 -114.75 150.7 44.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.592 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.44 131.96 43.57 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.052 1.834 . . . . 0.0 112.803 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 948' ' ' PHE . . . . . 0.525 ' CG ' ' OE1' ' A' ' 87' ' ' GLN . 42.6 p90 -149.16 159.92 43.82 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -92.61 123.25 35.77 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.303 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 950' ' ' TYR . . . . . 0.439 ' OH ' ' NE ' ' A' ' 104' ' ' ARG . 23.4 t80 -94.78 96.8 9.61 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.689 0.756 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 951' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.8 mt -121.68 127.74 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-N 114.225 -1.352 . . . . 0.0 108.939 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -65.29 80.45 0.05 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.858 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 953' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.1 t0 . . . . . 0 C--O 1.221 -0.446 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.611 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.818 0.342 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -114.86 124.05 50.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.319 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.81 -62.91 1.37 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.049 0.452 . . . . 0.0 110.055 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.591 HG23 ' HB ' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -141.08 118.01 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.439 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 20.6 pm0 -140.7 143.01 34.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.779 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER 179.59 173.84 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.417 ' HA ' HD12 ' A' ' 46' ' ' LEU . 16.0 mtm-85 -88.64 164.25 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.426 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.76 159.23 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.67 144.38 17.92 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -92.08 -171.75 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.597 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.472 ' CE ' HG12 ' A' ' 38' ' ' VAL . 62.7 mtp -130.71 137.84 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.379 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.7 108.65 9.87 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 106' ' ' PHE . 35.9 tp -104.26 103.67 13.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.393 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 21.9 mtmt -140.04 136.24 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.688 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' ' 36' ' ' THR . . . 39.44 56.26 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' GLY . 5.5 p 49.37 63.53 2.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 -178.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 39' ' ' THR . 17.1 m -146.63 109.09 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.562 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CE ' ' A' ' 31' ' ' MET . 17.1 t -101.64 102.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.671 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 37' ' ' THR . 0.1 OUTLIER -127.16 161.21 55.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 123.328 0.392 . . . . 0.0 110.297 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.97 123.28 13.48 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.386 2.057 . . . . 0.0 112.469 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -71.42 129.04 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.616 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -64.35 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.496 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -80.56 146.19 31.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -102.7 137.57 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.1 160.86 13.0 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 27' ' ' ARG . 25.4 tp -117.74 120.69 38.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.665 0.269 . . . . 0.0 110.292 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -92.39 116.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -130.28 121.62 26.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.689 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.591 ' HB ' HG23 ' A' ' 24' ' ' VAL . 49.0 mt -131.67 130.8 62.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -128.92 134.11 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.286 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -89.73 129.14 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.558 ' OG1' ' NE2' ' A' ' 50' ' ' GLN . 2.0 m -134.03 143.89 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.222 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.73 -21.68 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.402 ' H ' HG22 ' A' ' 52' ' ' THR . 71.6 m-20 -104.08 5.33 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -155.92 14.46 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.067 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 76' ' ' PHE . 16.2 mt 54.94 -151.89 0.37 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.5 mp -87.47 126.18 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -101.21 114.64 28.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -94.6 120.86 35.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.2 t -127.03 130.3 49.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -120.87 111.59 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.297 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.1 mtpp -110.19 156.38 20.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.611 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 67' ' ' GLY . 35.0 p30 -97.07 125.19 41.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.687 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -66.67 -29.08 69.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.078 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -67.41 -29.71 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.05 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.436 ' OG ' ' OD1' ' A' ' 63' ' ' ASP . 1.1 p -116.22 -20.92 9.61 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.85 18.4 72.41 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -114.52 154.0 29.02 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 111.293 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.26 134.22 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.378 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.83 -36.68 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.508 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -166.29 132.13 2.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 49.1 p-10 -136.43 130.67 33.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.605 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.6 mt -143.4 148.4 36.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.294 0.569 . . . . 0.0 110.496 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -84.51 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.355 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.62 HG21 HD12 ' A' ' 128' ' ' LEU . 4.4 mm -113.55 124.02 69.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.265 0.555 . . . . 0.0 110.355 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.401 ' HA ' HD13 ' A' ' 56' ' ' LEU . 89.0 m-85 -75.75 149.02 82.95 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.391 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 41.7 Cg_endo -67.38 64.73 0.74 Allowed 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.595 2.196 . . . . 0.0 112.149 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 163.57 -19.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 67.1 t0 -96.42 98.81 10.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.649 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 165.86 99.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.446 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -107.9 128.76 54.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.282 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -109.43 137.55 47.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -124.26 147.26 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -118.15 133.41 55.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 85' ' ' VAL . 10.1 m -115.2 89.41 20.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.875 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -83.51 83.49 1.83 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -102.46 -11.68 18.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.65 150.61 60.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.81 -20.92 58.53 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.539 2.16 . . . . 0.0 112.249 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.5 t -137.99 146.28 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.74 40.66 4.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.12 141.9 58.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.258 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.5 m -128.91 156.95 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -117.27 137.4 52.43 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.1 t -118.69 121.71 67.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.01 134.65 41.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.565 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -124.81 129.5 50.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 101' ' ' GLY . 54.9 m-85 -87.24 119.78 27.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -65.58 -31.21 72.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.88 -23.46 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 98' ' ' PHE . . . -146.36 -152.07 5.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 p -122.21 14.62 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.596 ' CB ' ' NZ ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -65.24 132.97 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.546 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.3 129.59 55.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 mt -115.33 133.69 55.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.348 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.456 ' CZ ' HD22 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -125.94 124.2 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -156.52 167.59 29.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.481 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 8.7 p-90 -145.03 159.54 42.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 61.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.81 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.584 HE21 ' C ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -65.29 -12.57 53.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.915 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -61.95 148.27 88.4 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.253 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.64 -24.07 63.02 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.495 2.13 . . . . 0.0 112.472 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -83.13 93.06 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.06 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -107.35 16.4 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.909 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.82 -4.22 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -136.11 23.06 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.345 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.4 -41.01 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -69.37 -40.49 77.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.13 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 124' ' ' VAL . 21.5 t-80 -65.27 -46.18 81.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.426 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.6 t -61.33 -47.22 86.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.49 -45.37 76.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.81 -44.61 89.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.0 t -63.51 -44.26 98.67 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.76 -40.24 96.21 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.739 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -63.49 -44.6 93.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.904 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -65.0 -44.01 90.64 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.192 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.62 HD12 HG21 ' A' ' 75' ' ' ILE . 4.0 mm? -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.425 -179.662 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 N--CA 1.496 1.642 0 CA-C-O 120.576 0.157 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -94.63 112.94 59.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.421 -0.511 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.3 150.6 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.699 1.599 . . . . 0.0 113.277 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.01 -176.57 1.32 Allowed 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.955 2.436 . . . . 0.0 111.601 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -118.25 151.8 49.8 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.83 128.78 27.99 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.244 1.963 . . . . 0.0 112.576 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 948' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 30.7 p90 -148.43 150.73 33.99 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.564 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -86.07 125.4 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.821 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -88.25 109.77 20.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.193 0.52 . . . . 0.0 110.252 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 951' ' ' ILE . . . . . 0.593 ' O ' HG23 ' B' ' 951' ' ' ILE . 17.9 tt -134.79 117.08 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.171 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 952' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 53.1 p-10 -58.02 81.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.679 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 953' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' B' ' 951' ' ' ILE . 59.2 p30 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.677 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.6 tttp . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.788 0.327 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -80.8 101.15 9.17 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.431 HD12 ' H ' ' A' ' 51' ' ' GLN . 92.0 mt -79.83 -44.65 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.697 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.8 t -130.12 129.49 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -159.78 141.89 13.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 52.6 p90 -159.44 159.14 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -83.29 149.02 27.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.406 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.66 149.14 26.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.228 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -107.58 141.89 15.73 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 173.93 7.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.5 mtp -124.67 141.75 51.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -77.13 142.75 39.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.472 HD21 HG22 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -123.32 118.25 27.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.834 0.35 . . . . 0.0 110.607 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' GLY . 40.8 mttt -144.9 125.1 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 30.73 66.91 0.13 Allowed Glycine 0 N--CA 1.469 0.886 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p 50.16 63.63 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.164 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.5 m -149.1 123.17 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 HD21 ' A' ' 33' ' ' LEU . 61.8 t -116.73 120.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 123.137 0.273 . . . . 0.0 111.022 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.81 161.33 46.66 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.549 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.33 122.67 12.2 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.044 1.83 . . . . 0.0 111.928 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.18 143.26 35.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.481 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -71.57 -27.48 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.705 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -75.7 146.64 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.18 134.28 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.987 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.83 146.14 17.02 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.1 tp -115.97 124.78 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.676 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 65.0 t -98.98 116.31 41.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -120.58 123.62 43.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.316 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.504 HG23 HG23 ' A' ' 57' ' ' ILE . 78.7 mt -124.68 129.2 73.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.036 0.446 . . . . 0.0 110.749 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -135.61 134.51 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.381 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.431 ' H ' HD12 ' A' ' 23' ' ' LEU . 51.0 tt0 -98.79 125.7 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.2 p -87.88 171.46 10.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -75.1 -0.91 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.759 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -95.64 8.73 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 69.54 26.4 5.11 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 mt -116.58 137.43 52.18 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.699 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.504 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -98.58 131.93 44.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 121.047 0.451 . . . . 0.0 110.563 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -98.55 115.44 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.729 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.43 117.69 34.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.264 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.6 t -125.37 125.32 43.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.324 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.548 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 80.6 t90 -117.37 109.92 17.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.669 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -114.44 147.52 39.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.585 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.6 m-20 -79.62 101.01 8.09 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.876 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -51.55 -29.72 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.86 0.362 . . . . 0.0 110.427 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 -44.93 96.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -104.59 -16.17 15.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.68 15.8 69.17 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -101.65 137.7 39.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -65.23 135.8 27.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 10.3 mm-40 -115.6 -41.15 3.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.826 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 70' ' ' GLU . 7.5 m-20 -143.46 135.2 26.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.675 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 45.1 p-10 -152.67 117.8 5.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 tp -155.59 144.69 20.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.945 0.403 . . . . 0.0 110.067 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.0 mt -76.29 138.14 21.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.64 124.48 73.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 78' ' ' ASP . 79.9 m-85 -78.3 124.27 85.71 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.069 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 67.1 Cg_exo -44.15 82.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.02 1.813 . . . . 0.0 112.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER 163.94 -24.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.75 179.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 99.0 m-20 -103.87 104.16 14.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 161.78 96.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.097 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 96' ' ' LEU . 37.7 tt0 -105.58 135.04 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.208 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -111.83 147.59 35.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.838 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -135.49 149.08 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.7 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -112.83 129.28 56.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.143 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -114.39 91.44 24.18 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.473 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -83.09 84.51 1.72 Allowed 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 122.518 2.145 . . . . 0.0 112.441 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.81 -30.88 16.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 91.0 m -134.34 148.62 68.45 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.767 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.64 -23.5 49.21 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.424 2.083 . . . . 0.0 112.263 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.408 ' OG ' ' OE2' ' B' ' 943' ' ' GLU . 29.7 t -101.2 127.1 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.893 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.56 162.67 38.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -135.91 134.14 38.4 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.176 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.4 t -124.15 128.64 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.19 145.34 45.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.36 131.64 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.478 HD11 ' SG ' ' A' ' 80' ' ' CYS . 0.2 OUTLIER -104.89 117.31 33.72 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.602 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -105.84 118.11 35.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.582 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -90.38 96.75 10.81 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -62.5 -19.51 63.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.59 66.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.005 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.46 6.63 3.92 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 98' ' ' PHE . 34.8 m 54.82 46.72 23.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.59 0.233 . . . . 0.0 110.81 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.41 ' HD2' HD23 ' A' ' 105' ' ' LEU . 1.7 ttmt -110.74 138.72 46.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.657 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -114.15 135.21 54.28 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.717 HD12 ' CE1' ' A' ' 107' ' ' PHE . 0.4 OUTLIER -125.91 150.07 48.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 179.467 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.0 127.44 55.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.893 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 105' ' ' LEU . 53.8 m-85 -151.8 157.48 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.518 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 5.6 p-90 -148.49 158.46 44.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.58 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mmm -70.33 59.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.775 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.411 ' CG ' ' CH2' ' A' ' 108' ' ' TRP . 19.9 tm0? -65.72 -17.71 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.76 149.17 80.76 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.546 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.85 -37.01 76.42 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.078 1.852 . . . . 0.0 112.665 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -69.92 97.62 1.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.549 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.7 t -121.46 7.7 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.378 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.01 -5.79 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.83 27.1 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.053 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 18.2 p-10 -62.33 -37.17 84.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.13 -43.95 96.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.323 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.83 -41.25 92.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 124' ' ' VAL . 59.1 m-70 -63.69 -44.69 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 92.8 m -65.71 -42.1 91.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -63.91 -43.89 94.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.79 80.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.1 t -63.24 -41.84 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.61 -41.05 98.77 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.76 -45.06 95.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.872 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.94 -45.26 93.2 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.917 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.87 -30.36 65.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.76 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 65.4 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.789 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo . . . . . 0 N--CA 1.491 1.329 0 CA-C-O 120.618 0.174 . . . . 0.0 112.046 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 943' ' ' GLU . . . . . 0.408 ' OE2' ' OG ' ' A' ' 90' ' ' SER . 87.2 tt0 -123.36 84.57 52.22 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.054 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.08 142.53 94.23 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.9 -177.54 3.23 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.543 2.162 . . . . 0.0 111.759 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.07 153.42 42.56 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.062 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.74 128.74 19.19 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.68 1.587 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -149.49 148.78 29.81 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -85.88 135.75 33.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.958 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 950' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' B' ' 950' ' ' TYR . 3.1 t80 -99.16 96.28 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.468 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 951' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.9 mt -124.96 126.0 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.939 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.79 81.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.225 0.536 . . . . 0.0 109.968 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 953' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.663 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.735 0.302 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.78 109.09 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.524 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' ' 51' ' ' GLN . 90.3 mt -96.94 -48.86 5.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.377 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.81 122.85 53.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.004 0.431 . . . . 0.0 109.936 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -146.67 126.14 13.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 0.9 OUTLIER -161.86 -166.81 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.49 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -109.24 156.37 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.418 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.05 140.56 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.62 132.09 10.97 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -86.09 -169.96 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.771 0.32 . . . . 0.0 110.548 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 24.9 mtp -126.84 144.63 50.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.4 t -82.26 121.87 27.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.167 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -108.37 109.39 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.051 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -146.55 128.74 15.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.65 60.03 1.25 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 49.57 62.34 2.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 109.973 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -145.96 125.71 13.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.149 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.43 107.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.806 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 168.81 15.64 Favored Pre-proline 0 N--CA 1.451 -0.38 0 O-C-N 123.82 0.7 . . . . 0.0 110.515 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.44 127.19 24.3 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.641 2.228 . . . . 0.0 112.071 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -82.03 108.48 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.421 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -56.52 -20.8 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -87.12 99.88 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.245 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -78.84 140.72 38.12 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.453 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.85 178.34 16.54 Favored Glycine 0 N--CA 1.46 0.266 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.2 129.99 52.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.814 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 47' ' ' VAL . 14.9 p -98.72 118.07 44.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.593 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 1.4 t80 -126.82 122.63 35.28 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.446 ' CG2' HG23 ' A' ' 57' ' ' ILE . 48.7 mt -126.29 136.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -138.16 144.72 40.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.838 178.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.586 ' H ' HD12 ' A' ' 23' ' ' LEU . 1.5 tt0 -89.5 127.12 35.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 53' ' ' ASP . 22.2 m -87.97 157.68 18.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.439 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 55' ' ' SER . 94.5 m-20 -59.37 -37.88 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.8 m-20 -61.63 -0.94 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.547 ' C ' HD12 ' A' ' 56' ' ' LEU . 3.0 p 83.02 18.31 0.26 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.729 HD21 ' CE2' ' A' ' 76' ' ' PHE . 11.2 mp -108.38 149.45 28.7 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.592 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.649 HG21 HD21 ' A' ' 128' ' ' LEU . 1.4 mp -100.6 129.13 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 0.0 110.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.6 117.92 30.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.557 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.435 ' HB2' HD12 ' A' ' 75' ' ' ILE . 74.7 t80 -98.61 113.68 25.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.441 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.7 m -121.71 125.37 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.527 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 81.2 t90 -125.07 113.76 18.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.103 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 156.47 23.6 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.062 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.2 m-20 -86.59 130.52 34.46 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -68.97 -38.57 79.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.8 m -63.33 -44.24 95.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.8 m -94.23 -29.13 15.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 72.16 16.03 76.81 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -108.98 157.17 18.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.703 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 69' ' ' VAL . 21.8 m -81.8 130.15 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.57 -35.21 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.49 123.25 21.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.405 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.27 113.22 4.5 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.371 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.6 tp -154.99 148.9 25.68 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 110.395 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.481 HG21 HD23 ' A' ' 56' ' ' LEU . 87.4 mt -74.95 139.1 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.435 HD12 ' HB2' ' A' ' 59' ' ' PHE . 82.8 mt -123.59 125.35 71.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.729 ' CE2' HD21 ' A' ' 56' ' ' LEU . 49.0 m-85 -75.68 151.26 84.73 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 19.0 Cg_endo -59.24 132.89 49.3 Favored 'Trans proline' 0 C--N 1.3 -1.993 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.5 t70 79.7 -12.15 1.1 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -61.74 -46.24 90.49 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.893 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.34 124.12 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.634 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -107.72 149.54 28.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.502 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 82' ' ' PHE . 17.2 p90 -100.97 134.06 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -131.23 164.3 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -116.94 139.18 50.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.426 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.749 ' O ' HG13 ' A' ' 85' ' ' VAL . 10.4 p -115.69 90.72 27.46 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.118 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.83 102.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.564 ' OE1' ' CZ ' ' B' ' 948' ' ' PHE . 15.3 mt-30 -102.58 -45.92 4.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.403 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -154.55 156.02 31.19 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.346 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 17.8 Cg_endo -59.27 -35.09 97.87 Favored 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 122.901 2.401 . . . . 0.0 112.479 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.555 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 88.1 p -105.27 6.2 32.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.729 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.616 ' N ' ' SG ' ' A' ' 88' ' ' CYS . . . -133.16 133.3 6.93 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -140.48 154.46 46.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 94' ' ' TYR . 49.9 t -137.34 154.94 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.428 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 96.1 m-85 -103.36 138.06 40.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.446 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.4 t -127.62 126.1 66.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.689 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.9 mt -106.68 138.66 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -125.6 131.43 52.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -89.82 111.66 22.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -26.01 67.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.7 67.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -145.01 -127.89 2.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 m -146.79 19.75 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -71.41 140.58 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.99 130.42 52.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.366 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 106' ' ' PHE . 2.0 tt -119.39 118.73 31.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.616 ' N ' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -110.64 126.08 54.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -154.85 171.78 19.07 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.554 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.4 p-90 -140.04 155.42 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.45 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.08 64.94 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 111.15 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -63.62 -4.93 3.33 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.207 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -60.07 147.58 80.05 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.436 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 -41.03 64.97 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.43 102.42 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.705 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -112.1 1.02 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.12 -15.91 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -117.98 15.55 14.23 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 47.3 p-10 -63.06 -32.28 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 88.8 tt0 -63.31 -47.35 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.8 -41.61 97.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.429 ' NE2' ' CE1' ' A' ' 26' ' ' PHE . 62.5 m80 -64.36 -44.19 92.18 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.62 -40.59 88.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -71.43 -40.48 70.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -69.04 -43.25 75.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -31.92 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 129' ' ' ASN . 26.4 t-20 -65.55 -44.03 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.254 0.55 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.87 -43.47 98.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.631 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.06 -40.83 97.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.649 HD21 HG21 ' A' ' 57' ' ' ILE . 72.4 mt -83.07 -14.94 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 125' ' ' ASN . 25.4 t-20 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo . . . . . 0 N--CA 1.49 1.281 0 CA-C-O 120.694 0.206 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -93.22 118.06 67.62 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.656 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.07 155.41 52.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.63 2.22 . . . . 0.0 112.451 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.98 -177.64 1.71 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.978 2.452 . . . . 0.0 112.052 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.75 152.4 44.74 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-O 121.049 0.452 . . . . 0.0 110.611 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.37 128.22 24.26 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 122.911 2.407 . . . . 0.0 112.258 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 948' ' ' PHE . . . . . 0.564 ' CZ ' ' OE1' ' A' ' 87' ' ' GLN . 33.5 p90 -148.62 149.74 32.04 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.913 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.92 119.95 28.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -84.59 114.92 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 951' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 953' ' ' ASP . 8.3 tt -128.81 107.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 952' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 53.9 p-10 -53.03 80.84 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 953' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 951' ' ' ILE . 38.1 p30 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.527 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.9 tttp . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.729 0.299 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -118.79 111.11 18.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.101 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -55.03 3.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.656 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.536 HG11 HG22 ' A' ' 124' ' ' VAL . 60.5 t -120.67 126.33 75.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.206 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 3.2 pp20? -154.66 138.53 16.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 61.0 m-85 -160.62 166.45 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 99.7 mtt180 -91.37 152.48 20.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.29 152.84 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.04 138.38 14.92 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' NZ ' ' CE1' ' A' ' 106' ' ' PHE . 37.8 tttm -89.94 163.82 14.81 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.491 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -105.12 142.19 35.34 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.155 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.9 m -76.99 129.95 36.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.08 109.88 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -143.46 126.52 16.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.22 65.41 0.6 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 p 44.67 63.25 1.75 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.132 0.492 . . . . 0.0 110.008 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 m -149.01 114.25 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.291 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.29 114.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.77 162.41 52.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.62 121.37 9.91 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.002 1.801 . . . . 0.0 112.157 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -96.84 145.94 25.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.67 -8.03 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.601 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -73.21 109.35 6.68 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.377 0.608 . . . . 0.0 110.786 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -83.29 132.99 35.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.815 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.06 152.05 17.97 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -114.19 126.1 54.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -98.46 118.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.687 0.279 . . . . 0.0 111.065 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.13 121.77 36.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.239 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.7 mt -134.48 135.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.567 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 3.6 pp0? -144.8 138.82 27.37 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.639 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -107.75 128.73 54.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.694 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 164.56 12.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.485 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.28 -2.27 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.0 t0 -70.86 -12.32 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.577 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER 85.97 47.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.133 0.492 . . . . 0.0 110.053 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.99 155.49 6.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mt -115.39 137.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -97.2 123.07 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.767 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -105.72 118.14 35.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.729 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -124.96 132.02 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.557 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.491 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 37.3 t90 -124.82 110.46 14.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 109.884 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -112.79 137.89 50.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.068 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 67' ' ' GLY . 98.0 m-20 -83.28 124.58 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.401 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 78.8 mtp180 -70.28 -36.38 74.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -62.81 -38.12 89.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.781 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.8 p -103.7 -23.69 13.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.601 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 69.31 15.94 70.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.84 142.77 42.43 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -67.9 131.91 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.95 -40.52 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -137.94 125.93 22.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.54 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -150.92 108.28 3.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 73' ' ' LEU . 10.4 tp -154.99 150.11 26.99 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 110.025 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.2 mt -72.43 144.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.77 122.23 67.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.403 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -98.19 150.27 36.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.519 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.43 ' O ' ' OD1' ' A' ' 79' ' ' ASP . 76.3 Cg_exo -48.75 145.55 12.74 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.057 1.838 . . . . 0.0 111.944 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 77.72 -16.93 0.61 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.774 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 77' ' ' PRO . 1.8 m-20 -100.07 81.81 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.441 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 171.05 82.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.267 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -99.53 129.49 45.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.065 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -110.22 147.35 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.38 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.75 144.13 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.92 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.3 ptt85 -119.63 138.14 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.21 90.35 23.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.452 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.13 84.01 1.81 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.628 2.218 . . . . 0.0 112.281 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -90.13 -40.65 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.54 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.5 p -162.08 147.08 9.99 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.33 -13.05 38.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.659 2.24 . . . . 0.0 112.168 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -60.51 -40.36 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.39 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.62 149.22 20.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.68 145.21 51.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.02 148.09 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.527 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.62 142.72 46.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -118.13 126.64 75.1 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -109.33 129.6 55.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.2 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -115.34 111.22 20.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 109.973 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.547 ' O ' ' N ' ' A' ' 102' ' ' SER . 94.2 m-85 -91.98 117.17 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -70.89 -25.23 62.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.34 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.54 -2.26 8.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 98' ' ' PHE . 50.9 m 48.07 53.83 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.269 . . . . 0.0 110.464 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -128.43 150.84 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.593 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -110.44 119.37 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.635 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tp -103.82 127.35 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.501 ' CE1' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -110.49 115.48 29.71 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.721 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -154.69 164.48 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 110' ' ' GLN . 6.0 p-90 -142.14 160.55 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.97 63.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.489 0.661 . . . . 0.0 110.463 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 108' ' ' TRP . 21.7 tm0? -62.86 -17.22 61.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.757 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.436 ' HG2' ' H ' ' A' ' 113' ' ' LYS . 76.7 tt0 -56.18 132.92 75.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.085 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.68 -16.28 51.89 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 122.26 1.973 . . . . 0.0 113.123 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.436 ' H ' ' HG2' ' A' ' 111' ' ' GLU . 11.3 mmtm -90.0 97.16 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.11 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.6 p -118.16 33.91 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.914 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.56 -15.79 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.255 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.74 26.0 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.166 0.508 . . . . 0.0 110.416 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.83 -40.44 92.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.364 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.28 -44.56 91.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.818 0.342 . . . . 0.0 110.634 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -68.91 -42.34 77.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.688 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.606 ' O ' HG23 ' A' ' 124' ' ' VAL . 7.2 m-70 -66.11 -42.54 89.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.94 -48.54 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -66.86 -40.66 87.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.502 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -64.85 -43.65 92.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.684 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 120' ' ' HIS . 66.8 t -65.63 -45.22 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.682 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.425 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -64.61 -42.03 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -69.16 -36.33 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.962 0.41 . . . . 0.0 110.632 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.31 -43.45 64.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.444 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 . . . . . 0 C--O 1.233 0.23 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.434 -178.692 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 942' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' B' ' 943' ' ' GLU . 60.1 Cg_endo . . . . . 0 N--CA 1.498 1.779 0 CA-C-O 119.543 -0.274 . . . . 0.0 111.721 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 943' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 942' ' ' PRO . 9.2 mm-40 6.18 73.09 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.743 0 O-C-N 124.117 0.886 . . . . 0.0 111.283 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.88 142.27 98.25 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.159 1.906 . . . . 0.0 112.597 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.87 -177.18 2.41 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.528 2.152 . . . . 0.0 111.36 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -128.12 150.38 73.69 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.514 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.08 128.71 30.1 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.909 1.739 . . . . 0.0 112.716 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 948' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 24.9 p90 -152.24 144.84 24.2 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.16 132.7 34.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 0.0 111.114 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -97.47 111.14 23.53 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.344 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 951' ' ' ILE . . . . . 0.55 ' O ' HG23 ' B' ' 951' ' ' ILE . 21.4 tt -132.38 122.57 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.614 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -56.26 81.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.43 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 953' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.5 m-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.637 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.863 0.363 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.18 122.6 26.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.352 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 23' ' ' LEU . 1.9 mm? -102.49 -62.69 1.24 Allowed 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -125.55 122.5 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.258 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 21.8 pt-20 -149.8 129.18 12.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 69.7 m-85 -154.79 167.92 28.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 2.4 mpt_? -86.34 156.26 20.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.67 144.63 20.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 110.583 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.16 145.64 16.31 Favored Glycine 0 N--CA 1.466 0.676 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.481 ' CE ' HD11 ' A' ' 105' ' ' LEU . 1.1 mmmp? -92.94 -174.67 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.593 0.235 . . . . 0.0 110.534 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.5 mtp -127.5 141.97 51.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.529 ' OG ' ' CE ' ' A' ' 34' ' ' LYS . 8.8 t -78.14 125.06 28.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.2 118.44 36.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.25 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.529 ' CE ' ' OG ' ' A' ' 32' ' ' SER . 8.1 ptpt -156.4 134.23 11.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.56 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 36.35 57.55 1.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 48.85 62.4 2.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.234 0.54 . . . . 0.0 109.844 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 m -146.88 121.53 9.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.238 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 t -113.26 116.93 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.719 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.87 172.14 6.83 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.615 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.88 127.91 28.07 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.587 2.191 . . . . 0.0 112.246 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -96.3 116.59 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -52.83 -23.88 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.37 129.15 37.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -110.57 143.81 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.45 175.53 17.8 Favored Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 tt -126.47 125.78 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.717 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.34 121.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.49 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -127.99 123.64 35.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 57' ' ' ILE . 76.6 mt -127.91 138.69 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.129 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 3.4 pp0? -150.25 149.27 29.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -95.15 131.92 40.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -75.51 -153.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 179.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' H ' HG22 ' A' ' 52' ' ' THR . 97.2 m-20 -99.9 -16.18 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -98.37 15.27 25.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.606 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.23 23.41 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.291 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 57' ' ' ILE . 9.7 mp -100.1 133.18 44.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.651 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -94.98 127.27 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.455 ' NE2' ' OD1' ' A' ' 72' ' ' ASP . 7.1 t-160 -98.71 120.97 40.04 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.228 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -101.03 112.46 24.92 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t -121.39 130.59 53.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -124.04 112.2 16.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.512 ' HG2' HG12 ' A' ' 69' ' ' VAL . 12.0 mtpt -103.3 160.03 15.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.789 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' GLY . 97.7 m-20 -99.09 124.05 43.82 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -70.67 -29.22 65.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.929 0.395 . . . . 0.0 110.421 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.4 p -76.83 -30.04 56.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -106.82 -35.94 6.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 80.98 11.89 83.26 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -111.63 153.45 26.34 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.512 HG12 ' HG2' ' A' ' 62' ' ' LYS . 32.7 m -73.27 122.22 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.56 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -98.18 -39.73 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -139.32 128.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 14.6 t70 -152.07 112.16 4.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.35 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -147.57 144.73 28.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 120.879 0.371 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.99 141.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 79' ' ' ASP . 96.6 mt -120.47 124.69 73.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 78' ' ' ASP . 55.3 m-85 -89.53 141.7 28.92 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.971 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 51.4 Cg_exo -45.59 74.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.986 2.457 . . . . 0.0 112.601 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER 157.45 -35.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.815 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 75' ' ' ILE . 63.5 t0 -82.15 84.19 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER 162.26 102.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.719 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -106.17 127.76 53.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -110.52 140.3 44.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.381 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -138.7 162.36 34.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -117.99 140.51 49.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.411 HG23 ' HB ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -115.34 90.39 24.62 Favored Pre-proline 0 C--O 1.234 0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.226 179.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -50.63 103.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.609 2.206 . . . . 0.0 112.113 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.796 ' NE2' HG23 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -113.73 -41.41 3.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.678 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 91' ' ' GLY . 53.8 t -135.06 129.34 18.96 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -48.38 -34.51 25.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.575 2.184 . . . . 0.0 112.093 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -102.94 -2.44 27.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -138.81 129.42 4.47 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -131.63 135.11 46.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.328 . . . . 0.0 110.527 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.796 HG23 ' NE2' ' A' ' 87' ' ' GLN . 11.4 t -96.3 143.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -107.18 141.28 38.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.439 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.2 138.45 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.666 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 mt -112.05 130.24 55.94 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -114.53 117.21 30.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -89.93 117.34 28.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.151 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.04 -22.33 66.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.71 -30.15 56.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.456 ' C ' ' N ' ' A' ' 103' ' ' LYS . . . -119.56 -1.62 13.53 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.609 ' N ' ' O ' ' A' ' 98' ' ' PHE . 16.9 m 48.45 13.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.701 0.286 . . . . 0.0 110.362 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.456 ' N ' ' C ' ' A' ' 101' ' ' GLY . 6.8 pttt -81.78 158.66 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.4 ' HD2' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -124.32 111.91 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.324 0.39 . . . . 0.0 110.346 -179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.481 HD11 ' CE ' ' A' ' 30' ' ' LYS . 58.1 tp -94.1 130.29 40.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -110.24 127.97 55.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -154.65 164.03 39.35 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.401 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.546 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.7 p-90 -133.77 153.43 51.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 mmm -69.28 63.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -9.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.248 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.38 144.8 91.58 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.99 -20.98 50.35 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.853 2.368 . . . . 0.0 112.332 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -92.32 74.53 5.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 114' ' ' THR . 2.2 t -96.5 0.55 50.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.94 -24.66 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -114.47 26.57 10.12 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.13 -40.84 86.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -70.5 -46.06 64.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.53 -39.97 88.89 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.842 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.55 ' O ' HG23 ' A' ' 124' ' ' VAL . 58.3 t-80 -61.9 -48.24 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -63.62 -45.18 91.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -64.33 -44.93 90.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -63.15 -43.43 98.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.415 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.1 t -62.97 -42.88 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.011 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -66.64 -37.8 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.967 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.59 -46.63 89.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.566 -179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -66.16 -43.42 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 57' ' ' ILE . 45.0 mt -65.19 -40.34 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.53 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 N--CA 1.491 1.368 0 CA-C-O 120.566 0.153 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 943' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' B' ' 943' ' ' GLU . 39.2 mp0 -116.58 94.37 43.15 Favored Pre-proline 0 C--O 1.233 0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.88 150.23 30.86 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.736 2.29 . . . . 0.0 112.294 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.38 -178.57 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.986 2.457 . . . . 0.0 112.124 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -114.5 149.14 41.71 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.681 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.63 129.36 23.39 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.505 2.137 . . . . 0.0 112.266 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.95 146.82 26.52 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.06 130.19 34.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -96.21 107.9 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.361 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 951' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.9 tt -132.53 120.11 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.24 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -48.45 81.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.139 0.495 . . . . 0.0 110.974 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 953' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.8 p-10 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.483 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.803 0.335 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.64 118.03 33.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -104.11 -50.02 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.313 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.666 HG11 HG22 ' A' ' 124' ' ' VAL . 60.3 t -133.42 127.53 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.992 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 26.0 pt-20 -162.91 140.43 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER 178.95 173.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -80.54 160.39 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.476 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.72 158.42 35.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.288 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.59 126.73 7.39 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -93.9 -167.48 1.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.728 0.299 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.673 ' HE2' HG12 ' A' ' 38' ' ' VAL . 80.4 mtp -134.2 143.57 47.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.179 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' THR . 49.7 m -76.5 140.51 41.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 33' ' ' LEU . 27.6 tp -124.28 109.19 13.06 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' GLY . 38.2 mtmt -132.29 129.04 39.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.989 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 32.17 64.49 0.24 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.4 64.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.202 0.525 . . . . 0.0 109.65 -177.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 m -151.31 105.46 3.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.641 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.673 HG12 ' HE2' ' A' ' 31' ' ' MET . 16.1 t -97.93 117.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.676 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -139.38 167.63 18.16 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 179.732 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.01 131.25 43.55 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.823 1.682 . . . . 0.0 112.739 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -92.67 114.9 27.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.301 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.67 -20.0 64.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -88.77 121.74 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.423 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -85.34 150.66 24.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.415 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -120.97 171.38 14.8 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tp -116.32 116.83 28.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.36 118.73 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.42 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 25' ' ' GLU . 2.5 m-85 -125.56 122.48 36.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.341 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.45 HG23 HG23 ' A' ' 57' ' ' ILE . 57.9 mt -130.78 132.5 64.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.06 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 3.9 pp0? -142.24 149.26 39.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.463 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -105.7 131.26 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -105.41 153.98 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.98 -10.92 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.427 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -73.88 1.36 10.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.633 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 71.82 48.92 0.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 pp -160.92 142.59 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.03 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.45 HG23 HG23 ' A' ' 49' ' ' ILE . 1.7 mp -98.69 134.12 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.606 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -98.29 123.09 42.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.882 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -104.56 118.18 35.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.299 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -122.33 127.82 50.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -118.69 110.3 17.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.703 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -109.75 154.33 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.36 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' SER . 3.8 m-20 -88.94 89.77 8.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -38.97 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 63' ' ' ASP . 100.0 m -61.02 -44.79 96.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.124 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ASP . 92.2 p -108.82 -16.03 14.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.54 13.76 74.55 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -98.46 156.45 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 111.204 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 69' ' ' VAL . 6.3 m -80.05 125.5 38.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -106.03 -34.66 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -151.36 132.3 14.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 42.0 p-10 -151.12 122.62 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -149.08 141.03 23.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.925 0.393 . . . . 0.0 110.065 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -74.87 137.73 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.627 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -120.61 122.74 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.942 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.38 167.39 11.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.549 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 79' ' ' ASP . 44.9 Cg_exo -57.76 144.22 93.79 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.174 1.916 . . . . 0.0 112.07 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 1.3 t0 75.6 -25.68 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 77' ' ' PRO . 63.1 t0 -89.09 69.6 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.517 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.92 105.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.43 117.23 30.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 82' ' ' PHE . 54.2 p90 -102.93 121.56 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.197 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 162.85 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -117.73 147.38 43.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.269 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 85' ' ' VAL . 11.8 p -107.71 107.38 60.25 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.85 125.84 9.02 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.878 1.718 . . . . 0.0 112.455 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.539 ' OE1' ' CD2' ' B' ' 948' ' ' PHE . 57.0 mt-30 -112.08 -31.74 6.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -150.45 168.68 10.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.484 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.88 -41.53 62.66 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 122.337 2.025 . . . . 0.0 112.553 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.445 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 90.3 p -107.58 172.93 6.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.9 152.25 28.64 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -130.24 132.81 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.47 140.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.524 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -117.35 139.44 50.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.49 124.59 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.0 130.44 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.726 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -110.57 113.14 25.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.519 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' A' ' 102' ' ' SER . 96.6 m-85 -88.64 107.75 19.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.73 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -66.25 -21.68 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.59 13.28 2.0 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 98' ' ' PHE . 62.4 m 48.31 45.89 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -97.37 141.81 30.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.567 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -114.5 126.06 54.51 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.216 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -123.39 140.4 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -120.53 122.82 41.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -154.27 163.89 39.43 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.241 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.561 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 4.1 p-90 -143.23 156.68 44.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.019 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.548 ' C ' ' H ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -67.91 64.11 0.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.883 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.47 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 40.5 tt0 -64.34 8.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.957 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 109' ' ' MET . 88.1 tt0 -102.97 103.51 34.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.193 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.01 -20.5 16.77 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.046 1.831 . . . . 0.0 112.631 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -62.1 -23.84 66.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.227 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 116' ' ' GLN . 98.1 m -59.62 -42.11 91.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.818 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.1 t0 51.49 0.71 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.281 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.707 ' H ' HG22 ' A' ' 114' ' ' THR . 73.6 mt-30 -133.2 30.95 3.87 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.824 0.345 . . . . 0.0 110.421 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 117' ' ' ASP . 63.6 t0 -55.12 -38.88 68.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -62.52 -45.73 91.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 0.0 110.58 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -73.1 -33.68 65.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.442 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -60.58 -46.15 91.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.739 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' CYS . . . . . 0.411 ' O ' ' OD1' ' A' ' 125' ' ' ASN . 48.6 t -63.12 -45.81 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.954 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -61.76 -40.6 95.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.262 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -67.61 -43.77 79.64 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.002 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.666 HG22 HG11 ' A' ' 24' ' ' VAL . 53.1 t -64.18 -40.68 89.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.959 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 121' ' ' CYS . 28.3 m120 -62.34 -42.04 99.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.704 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -34.51 75.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -65.67 -48.54 71.76 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.93 -37.29 81.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.711 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 -179.417 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo . . . . . 0 N--CA 1.488 1.148 0 N-CA-C 111.737 -0.14 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 943' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' B' ' 944' ' ' PRO . 0.2 OUTLIER -131.51 145.3 57.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.35 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 944' ' ' PRO . . . . . 0.468 ' O ' ' OE1' ' B' ' 943' ' ' GLU . 55.2 Cg_endo -71.31 146.8 51.69 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.956 1.771 . . . . 0.0 112.951 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.27 -177.19 2.54 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.564 2.176 . . . . 0.0 111.914 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -118.46 148.62 44.41 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.315 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.0 129.07 23.77 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.861 1.707 . . . . 0.0 112.727 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 948' ' ' PHE . . . . . 0.539 ' CD2' ' OE1' ' A' ' 87' ' ' GLN . 29.3 p90 -153.36 143.6 22.32 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -87.45 132.15 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.76 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -95.02 108.97 21.05 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.468 0.651 . . . . 0.0 109.941 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 951' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.5 tt -128.95 126.27 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.714 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 952' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 6.4 t70 -55.17 81.06 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 953' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 951' ' ' ILE . 45.7 p-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.794 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -155.66 95.69 1.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.421 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -129.04 129.23 45.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.172 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.64 -63.62 1.26 Allowed 'General case' 0 CA--C 1.517 -0.291 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.428 HG11 HG22 ' A' ' 124' ' ' VAL . 85.4 t -123.87 124.52 69.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.952 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -151.83 129.07 11.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.441 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -150.83 144.55 25.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.572 ' HE ' ' NH2' ' A' ' 64' ' ' ARG . 81.7 mtt85 -73.58 148.34 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.202 179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.45 149.64 29.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.08 128.27 9.42 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.475 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 63.2 tttm -87.23 156.57 19.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.643 0.259 . . . . 0.0 110.463 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.528 ' HE2' HG22 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -108.97 138.6 45.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.533 179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' THR . 39.1 t -78.01 112.3 14.78 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 37' ' ' THR . 63.1 tp -117.63 122.18 42.9 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.426 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.15 133.53 33.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.896 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 43.61 -108.23 0.16 Allowed Glycine 0 C--N 1.332 0.341 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 p -123.32 66.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.135 0.493 . . . . 0.0 110.217 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.469 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -165.51 129.9 2.36 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.345 179.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.716 HG12 ' O ' ' B' ' 948' ' ' PHE . 9.9 p -126.82 144.96 35.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.85 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -164.23 161.08 16.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 O-C-N 122.461 -0.149 . . . . 0.0 110.732 179.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -58.11 125.88 19.88 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 121.851 1.701 . . . . 0.0 110.774 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -83.96 137.48 33.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 0.0 110.607 -179.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.55 -21.12 62.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.778 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.526 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 31.9 ttp-105 -92.33 98.49 11.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.18 0.514 . . . . 0.0 110.331 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -74.54 153.32 39.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.119 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.13 179.06 16.93 Favored Glycine 0 CA--C 1.518 0.258 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 tt -129.33 129.9 45.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.852 0.358 . . . . 0.0 110.708 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.8 t -93.36 122.42 44.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.604 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -128.13 124.95 38.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.602 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 57' ' ' ILE . 77.8 mt -129.81 136.48 58.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.661 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 3.1 pp0? -147.33 149.68 33.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.534 178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -92.27 135.92 33.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.466 . . . . 0.0 111.327 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 p -84.74 -169.87 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.537 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -89.89 1.37 56.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.242 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -106.72 12.15 29.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.377 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t 71.53 28.56 2.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.657 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.84 148.29 35.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.632 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -100.12 133.56 42.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.008 0.433 . . . . 0.0 110.38 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 t-160 -105.08 118.25 36.06 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.643 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -94.9 120.65 35.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.401 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.4 136.73 52.26 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.212 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 18.9 t90 -123.04 109.91 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.147 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -97.96 167.93 10.6 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.556 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.597 ' O ' ' N ' ' A' ' 67' ' ' GLY . 24.8 t0 -101.74 128.43 48.07 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.572 ' NH2' ' HE ' ' A' ' 27' ' ' ARG . 14.9 mmm180 -64.46 -35.53 81.23 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.722 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 t -84.18 -31.57 25.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.809 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.35 -40.62 7.41 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.009 -179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 81.81 6.77 88.74 Favored Glycine 0 CA--C 1.52 0.365 0 N-CA-C 110.381 -1.087 . . . . 0.0 110.381 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -99.95 151.38 21.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.273 . . . . 0.0 110.797 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.463 ' H ' HG22 ' A' ' 69' ' ' VAL . 2.8 m -73.56 101.1 1.43 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-O 121.151 0.5 . . . . 0.0 110.494 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -75.43 -40.3 57.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.479 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -142.97 134.33 26.13 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.979 0.418 . . . . 0.0 111.048 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 50.9 p-10 -151.4 134.42 15.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tp -160.61 142.96 12.81 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 120.922 0.391 . . . . 0.0 110.187 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.0 mt -75.8 131.03 35.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.632 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 92.6 mt -122.87 127.19 74.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -94.89 133.24 26.76 Favored Pre-proline 0 CA--C 1.54 0.588 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.954 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.32 88.93 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.822 1.681 . . . . 0.0 112.624 179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER 168.95 -42.22 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.826 179.296 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.416 ' C ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -94.56 100.12 12.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.695 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 170.15 77.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.529 179.799 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -91.85 120.26 32.39 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -111.63 143.48 42.45 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.867 0.365 . . . . 0.0 110.705 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -134.8 161.62 34.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.233 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -111.68 129.57 56.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.929 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.466 HG23 HG13 ' A' ' 93' ' ' VAL . 0.0 OUTLIER -113.93 93.79 31.04 Favored Pre-proline 0 CA--C 1.533 0.318 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.78 84.46 1.98 Allowed 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 121.758 1.639 . . . . 0.0 112.489 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' OE1' ' O ' ' B' ' 946' ' ' GLU . 15.2 pt20 -69.23 -43.53 73.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.647 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.501 ' O ' ' O ' ' A' ' 91' ' ' GLY . 45.2 t -152.81 132.42 7.11 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.323 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.42 -39.95 17.08 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.4 1.4 . . . . 0.0 111.551 179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.6 t -61.99 -44.22 97.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.117 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -130.51 138.89 10.51 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 121.123 -0.561 . . . . 0.0 111.746 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -142.81 160.22 40.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.016 0.436 . . . . 0.0 111.0 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.579 HG22 ' N ' ' A' ' 94' ' ' TYR . 15.0 p -143.78 165.44 14.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.796 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.579 ' N ' HG22 ' A' ' 93' ' ' VAL . 89.0 m-85 -115.52 151.82 34.14 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.768 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.52 133.82 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.324 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 60.8 tp -110.61 123.69 50.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.958 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -110.77 120.71 43.28 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.4 m-85 -85.22 126.9 34.04 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.714 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -70.33 -24.85 63.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.151 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -92.28 -26.18 18.25 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 103' ' ' LYS . . . -102.85 -19.12 13.62 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 98' ' ' PHE . 15.8 p 59.47 -0.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 110.988 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.513 ' H ' ' C ' ' A' ' 101' ' ' GLY . 0.3 OUTLIER -81.63 162.31 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.449 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.08 127.03 52.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.214 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.1 tp -113.51 130.25 56.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.831 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -109.91 125.82 53.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -156.25 168.4 27.43 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.277 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.546 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 5.2 p-90 -147.52 156.63 43.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.455 ' SD ' ' SG ' ' A' ' 121' ' ' CYS . 2.1 mtp -69.08 62.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.893 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -63.14 -9.14 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.258 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.446 ' HG2' ' H ' ' A' ' 113' ' ' LYS . 87.9 tt0 -60.17 130.14 89.07 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.976 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -47.61 -27.74 8.19 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 121.875 1.717 . . . . 0.0 113.087 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.446 ' H ' ' HG2' ' A' ' 111' ' ' GLU . 12.0 mmtm -71.75 50.15 0.18 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.187 0.518 . . . . 0.0 110.455 -179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 48.1 m -65.34 -37.37 86.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.109 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -56.17 -17.45 7.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.271 -178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -119.15 22.09 12.0 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 40.6 p-10 -59.81 -42.63 93.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.019 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.528 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 24.4 pt-20 -71.33 -36.0 71.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 110.627 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -66.46 -42.2 87.93 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.515 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -67.45 -42.13 83.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.319 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.455 ' SG ' ' SD ' ' A' ' 109' ' ' MET . 93.3 m -65.49 -42.39 92.21 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.353 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.47 -40.79 96.36 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.256 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 -46.91 67.55 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.243 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.428 HG22 HG11 ' A' ' 24' ' ' VAL . 53.9 t -62.51 -41.06 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.702 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.08 -43.5 98.79 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 120.351 -0.54 . . . . 0.0 110.802 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 130' ' ' ASN . 95.3 mt-10 -65.44 -42.41 92.45 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.754 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -66.96 -41.1 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.896 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' A' ' 57' ' ' ILE . 19.3 tp -70.73 -40.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.607 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.431 ' O ' ' OXT' ' A' ' 130' ' ' ASN . 63.6 t30 -100.16 13.35 34.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.864 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 126' ' ' GLU . 3.4 t-20 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.648 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 48.93 70.9 1.8 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.623 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -61.51 179.2 0.51 Allowed 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.951 2.434 . . . . 0.0 111.652 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.3 108.65 51.21 Favored Pre-proline 0 CA--C 1.539 0.529 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.16 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.11 161.09 32.84 Favored 'Trans proline' 0 N--CA 1.492 1.419 0 C-N-CA 121.962 1.774 . . . . 0.0 113.216 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -61.58 -174.4 0.13 Allowed 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 123.236 2.624 . . . . 0.0 111.488 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 946' ' ' GLU . . . . . 0.422 ' O ' ' OE1' ' A' ' 87' ' ' GLN . 99.5 mt-10 -128.01 148.61 68.11 Favored Pre-proline 0 N--CA 1.454 -0.238 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 947' ' ' PRO . . . . . 0.499 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.4 Cg_endo -67.03 134.11 33.19 Favored 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 121.362 1.374 . . . . 0.0 114.108 -179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 948' ' ' PHE . . . . . 0.716 ' O ' HG12 ' A' ' 38' ' ' VAL . 38.5 p90 -154.5 166.7 32.47 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.048 177.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' B' ' 949' ' ' GLU . 59.1 mp0 -94.01 120.59 34.48 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.128 0.49 . . . . 0.0 109.723 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -92.88 115.1 27.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.793 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 951' ' ' ILE . . . . . 0.593 ' O ' HG23 ' B' ' 951' ' ' ILE . 17.8 tt -134.23 115.68 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.774 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 952' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 54.3 p-10 -60.92 80.82 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.256 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 953' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' B' ' 951' ' ' ILE . 68.3 t0 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.062 -0.971 . . . . 0.0 110.598 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -64.1 -38.7 92.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.184 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -118.94 70.23 0.82 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.28 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.0 tp -62.9 -49.01 76.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.008 0.432 . . . . 0.0 110.3 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.486 HG13 ' CE1' ' A' ' 26' ' ' PHE . 2.9 t -142.41 141.02 28.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.573 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -151.0 123.92 8.66 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.447 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' CE2' ' CE1' ' A' ' 120' ' ' HIS . 66.3 m-85 -138.31 148.74 44.95 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.168 0.509 . . . . 0.0 111.39 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.579 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 84.6 mtp180 -82.65 147.37 28.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.349 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.581 ' HA ' HE22 ' A' ' 110' ' ' GLN . . . -160.81 150.85 17.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.138 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.719 ' N ' ' NE2' ' A' ' 110' ' ' GLN . . . -110.16 142.47 16.55 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.484 ' N ' ' OD2' ' A' ' 41' ' ' ASP . 30.1 tttt -83.86 -163.24 0.74 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.741 0.305 . . . . 0.0 110.189 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.494 ' SD ' ' O ' ' A' ' 39' ' ' THR . 1.0 OUTLIER -138.43 142.51 39.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.931 179.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.3 m -78.23 129.96 35.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.189 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mt -118.28 121.73 41.15 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.095 0.474 . . . . 0.0 111.121 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -155.37 135.02 12.63 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.013 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.67 55.35 2.7 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 48.42 64.68 1.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.636 0.731 . . . . 0.0 109.519 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.5 m -153.4 114.85 4.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.537 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -103.79 114.29 42.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.08 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.494 ' O ' ' SD ' ' A' ' 31' ' ' MET . 0.1 OUTLIER -131.57 175.87 3.35 Favored Pre-proline 0 N--CA 1.451 -0.381 0 O-C-N 123.249 0.343 . . . . 0.0 110.337 179.24 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.36 134.5 52.19 Favored 'Trans proline' 0 C--N 1.313 -1.337 0 C-N-CA 122.185 1.923 . . . . 0.0 112.558 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.484 ' OD2' ' N ' ' A' ' 30' ' ' LYS . 34.4 p-10 -92.25 138.25 31.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.759 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -80.59 -7.91 59.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.544 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.3 ttm105 -97.5 120.54 38.06 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.937 0.399 . . . . 0.0 111.03 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -87.15 143.05 27.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 109.934 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.63 175.15 19.15 Favored Glycine 0 CA--C 1.518 0.226 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.865 HD23 ' N ' ' A' ' 47' ' ' VAL . 3.3 tt -131.2 141.48 50.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.956 0.408 . . . . 0.0 110.801 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.865 ' N ' HD23 ' A' ' 46' ' ' LEU . 82.3 t -106.83 122.36 60.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.983 -179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.797 ' CE1' HD22 ' A' ' 46' ' ' LEU . 49.8 m-85 -116.68 130.93 57.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.788 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.4 mm -124.16 127.06 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.266 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.57 HE22 ' CD2' ' A' ' 58' ' ' HIS . 0.0 OUTLIER -135.7 137.89 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.302 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.432 ' HA ' HD12 ' A' ' 57' ' ' ILE . 60.7 tt0 -99.85 128.97 45.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.908 0.385 . . . . 0.0 110.946 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.476 ' OG1' ' NE2' ' A' ' 58' ' ' HIS . 6.2 m -93.83 156.16 16.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.583 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.2 -26.18 68.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.965 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 55' ' ' SER . 56.2 m-20 -68.95 -2.96 11.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.707 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.664 ' C ' HD12 ' A' ' 56' ' ' LEU . 0.8 OUTLIER 82.42 26.27 0.16 Allowed 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.103 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.664 HD12 ' C ' ' A' ' 55' ' ' SER . 11.0 mp -119.24 142.87 47.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.432 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 51' ' ' GLN . 1.4 tp -100.13 147.84 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.19 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.57 ' CD2' HE22 ' A' ' 50' ' ' GLN . 4.7 m-70 -114.33 124.68 52.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -109.18 112.55 24.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.47 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.0 t -120.67 130.5 54.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.727 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -108.93 112.4 24.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.168 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -106.94 139.05 41.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.372 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' O ' ' N ' ' A' ' 67' ' ' GLY . 59.3 t0 -82.03 118.43 22.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.474 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.579 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 32.5 mtp180 -68.26 -37.82 81.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.517 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.2 m -60.87 -45.36 94.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.7 m -94.22 -25.15 17.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.101 0.476 . . . . 0.0 110.42 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 73.33 14.01 79.5 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 110.323 -1.111 . . . . 0.0 110.323 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -114.82 154.58 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.693 0.282 . . . . 0.0 111.153 -179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG22 ' H ' ' A' ' 69' ' ' VAL . 2.0 m -65.65 123.27 18.21 Favored 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -91.9 -44.56 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.735 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -159.89 150.28 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.62 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -152.01 148.42 27.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.236 179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.4 tp -160.73 142.55 12.35 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.026 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 83.7 mt -83.12 136.19 23.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.696 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.8 mt -119.69 129.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.546 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.74 153.64 61.07 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.918 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' C ' ' H ' ' A' ' 79' ' ' ASP . 69.2 Cg_exo -51.4 142.84 36.84 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 121.522 1.481 . . . . 0.0 112.06 178.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 69.04 -12.85 0.38 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.218 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 77' ' ' PRO . 8.0 t70 -89.62 77.56 7.15 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.038 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.77 101.62 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.392 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -102.44 132.76 48.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -104.77 137.64 42.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.262 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -129.92 147.76 51.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -119.05 135.05 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.406 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 85' ' ' VAL . 28.2 m -116.17 90.95 30.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.795 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.92 112.6 1.02 Allowed 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.191 1.927 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.65 HE22 ' CG2' ' A' ' 93' ' ' VAL . 2.2 mt-30 -113.63 -37.17 4.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.499 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.85 157.93 46.34 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.781 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.21 -29.88 31.97 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.612 2.208 . . . . 0.0 112.292 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.5 m -105.41 -3.7 22.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -98.83 148.37 18.8 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.8 ptp85 -141.1 130.68 23.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.025 0.44 . . . . 0.0 110.724 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.65 ' CG2' HE22 ' A' ' 87' ' ' GLN . 84.3 t -131.31 133.39 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.657 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -109.24 130.36 55.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.248 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.7 t -120.42 122.38 68.0 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.126 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.67 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 96' ' ' LEU . 53.9 mt -106.98 129.81 54.72 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.384 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -116.93 132.07 56.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.358 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -86.87 112.0 21.33 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -61.52 -33.12 73.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.23 -28.0 69.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.322 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -129.93 -129.26 3.1 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.52 -1.032 . . . . 0.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.508 ' O ' ' NH2' ' A' ' 104' ' ' ARG . 52.6 p -156.97 25.3 0.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 0.0 110.607 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -86.26 140.29 30.25 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.508 ' NH2' ' O ' ' A' ' 102' ' ' SER . 4.5 mpt_? -122.49 129.53 52.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.291 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 106' ' ' PHE . 1.4 tt -110.44 132.25 54.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.942 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.721 ' N ' HD23 ' A' ' 105' ' ' LEU . 31.1 m-85 -112.17 120.29 41.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.957 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 20.9 p90 -151.72 164.7 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.33 -0.548 . . . . 0.0 110.583 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.536 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.0 p-90 -143.65 155.37 44.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.304 0.574 . . . . 0.0 110.624 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.508 ' C ' ' H ' ' A' ' 111' ' ' GLU . 22.0 mmm -80.54 63.16 4.88 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.096 -178.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.719 ' NE2' ' N ' ' A' ' 29' ' ' GLY . 0.0 OUTLIER -65.28 2.9 0.73 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.081 0.467 . . . . 0.0 110.271 -179.488 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 109' ' ' MET . 21.4 pt-20 -61.1 150.36 79.09 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.821 -177.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.76 -29.38 80.41 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.934 1.756 . . . . 0.0 112.676 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -63.42 -71.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.841 0.353 . . . . 0.0 111.284 -178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.482 HG23 ' OD2' ' A' ' 117' ' ' ASP . 2.0 m 44.06 27.21 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.543 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 50.8 p-10 -112.66 -7.4 13.85 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.062 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -137.19 25.97 2.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.111 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.482 ' OD2' HG23 ' A' ' 114' ' ' THR . 98.2 m-20 -60.65 -41.12 94.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.081 -178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.98 -40.73 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.843 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.42 -39.86 74.19 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.649 ' O ' HG23 ' A' ' 124' ' ' VAL . 48.1 m170 -63.59 -43.48 96.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.448 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.8 t -63.46 -46.32 86.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.084 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -62.03 -43.52 98.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.755 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -37.7 84.35 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.148 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 120' ' ' HIS . 55.6 t -61.71 -43.41 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 129' ' ' ASN . 98.9 m-20 -65.34 -37.69 87.83 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.135 179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 130' ' ' ASN . 64.1 mm-40 -59.29 -43.12 92.59 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.061 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -71.22 -34.3 70.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.8 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.07 -23.95 35.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.617 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 130' ' ' ASN . 58.5 t-20 -102.8 -45.55 4.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.75 0.31 . . . . 0.0 111.158 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 129' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.558 -179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 941' ' ' GLU . . . . . 0.44 ' N ' ' HD2' ' B' ' 942' ' ' PRO . 4.3 mt-10 -51.78 -55.05 33.5 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.895 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 942' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' B' ' 941' ' ' GLU . 61.4 Cg_endo -72.61 161.21 44.65 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.872 1.714 . . . . 0.0 111.694 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -114.1 94.69 35.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -52.37 142.83 46.16 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.403 2.069 . . . . 0.0 112.872 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.52 -178.11 2.1 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.501 2.134 . . . . 0.0 111.914 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -110.53 149.71 40.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.532 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -60.55 130.8 35.0 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.063 1.842 . . . . 0.0 112.809 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 948' ' ' PHE . . . . . 0.527 ' CE2' ' OE1' ' A' ' 87' ' ' GLN . 45.4 p90 -146.48 153.18 40.12 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 120.262 -0.575 . . . . 0.0 109.708 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -86.98 126.22 34.58 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.142 0.496 . . . . 0.0 110.814 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -97.77 97.3 8.88 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.835 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 951' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 953' ' ' ASP . 3.9 mm -118.78 122.32 69.1 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 CA-C-N 115.102 -0.953 . . . . 0.0 109.355 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -61.98 80.12 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.882 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 953' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.1 p-10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.96 -1.019 . . . . 0.0 110.455 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 pttm -64.05 -3.09 2.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.828 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.537 ' O ' ' CG ' ' A' ' 22' ' ' TYR . 0.0 OUTLIER -127.94 123.03 33.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.467 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 23' ' ' LEU . 13.9 tp -99.7 -49.88 4.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.493 . . . . 0.0 109.689 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.423 HG11 HG22 ' A' ' 124' ' ' VAL . 81.9 t -137.2 129.83 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.596 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -156.49 133.55 10.48 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.482 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.605 ' CZ ' ' CE1' ' A' ' 120' ' ' HIS . 79.2 m-85 -154.94 155.71 34.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.308 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -72.32 148.64 45.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.533 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' A' ' 47' ' ' VAL . . . -157.36 135.41 10.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.4 . . . . 0.0 110.649 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -88.79 151.82 22.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -96.98 166.52 11.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.657 0.265 . . . . 0.0 110.296 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 69.4 mtp -124.86 144.48 50.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.347 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.533 ' OG ' ' NZ ' ' A' ' 34' ' ' LYS . 34.7 t -76.96 151.38 35.71 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.263 -179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' CD2' HG22 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -133.88 107.85 8.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.84 0.352 . . . . 0.0 110.63 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' CD ' ' N ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -134.38 127.48 31.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.527 179.438 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 34.2 63.68 0.42 Allowed Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p 50.24 63.75 2.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.219 0.533 . . . . 0.0 109.994 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 m -149.51 113.39 5.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.554 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.454 HG22 ' CD2' ' A' ' 33' ' ' LEU . 36.2 t -103.38 115.62 45.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.417 -178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.77 156.95 70.7 Favored Pre-proline 0 N--CA 1.446 -0.672 0 C-N-CA 120.311 -0.556 . . . . 0.0 110.612 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_exo -49.04 127.74 17.9 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.755 1.637 . . . . 0.0 112.966 179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' LYS . 63.6 t0 -99.01 133.27 43.51 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.647 178.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.513 ' N ' ' OD1' ' A' ' 41' ' ' ASP . 26.5 pttm -59.22 -14.85 12.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.388 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 -82.32 129.9 34.97 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.878 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 mtmm -116.8 142.33 47.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.394 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.87 -174.48 13.48 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -130.14 138.77 50.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.971 0.415 . . . . 0.0 111.132 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 28' ' ' ALA . 70.3 t -93.17 122.89 45.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.73 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -118.97 120.63 37.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.348 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 57' ' ' ILE . 92.0 mt -131.07 129.8 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.848 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -148.86 140.75 23.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.022 179.124 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -90.72 126.98 36.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.344 . . . . 0.0 110.788 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.58 174.02 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -74.42 -2.85 27.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.709 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -100.52 12.99 36.09 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.508 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m 67.15 32.5 6.1 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.9 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 76' ' ' PHE . 67.6 mt -117.5 143.83 45.66 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.855 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 49' ' ' ILE . 1.6 mp -95.69 120.14 44.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.169 0.509 . . . . 0.0 110.583 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -88.25 114.47 24.9 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -105.59 118.12 35.77 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.138 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.2 m -130.99 133.24 45.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.738 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 16.1 t90 -112.17 110.97 21.53 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.096 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -104.7 135.37 46.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.133 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.555 ' O ' ' N ' ' A' ' 67' ' ' GLY . 45.1 m-20 -77.51 121.9 24.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.724 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -71.53 -40.72 69.88 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.671 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.47 -38.74 91.02 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.938 -179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.7 p -99.04 -27.39 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.673 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 74.21 12.93 81.63 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -110.85 148.34 32.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 111.149 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -67.45 139.07 21.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.531 179.665 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -115.89 -41.63 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -142.11 135.29 28.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.797 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 47.0 p-10 -151.23 104.9 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 0.0 110.879 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.7 tt -144.75 142.66 30.19 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.764 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 tp -74.61 140.55 17.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.466 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.9 mt -123.94 132.02 72.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.259 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CD2' HD22 ' A' ' 56' ' ' LEU . 25.0 m-85 -87.93 150.72 48.4 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.6 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.459 ' C ' ' H ' ' A' ' 79' ' ' ASP . 50.3 Cg_exo -54.15 142.21 67.34 Favored 'Trans proline' 0 N--CA 1.498 1.735 0 C-N-CA 121.814 1.676 . . . . 0.0 112.178 178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 72.48 -17.92 0.36 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.163 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.459 ' H ' ' C ' ' A' ' 77' ' ' PRO . 36.3 t0 -65.28 -35.44 81.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.554 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.7 t -114.67 120.61 40.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.795 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -106.42 137.72 43.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.648 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -104.78 143.52 33.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.473 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -135.25 153.74 51.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.936 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -112.04 126.49 55.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.284 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 85' ' ' VAL . 33.5 m -115.3 91.19 27.22 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.08 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -79.36 119.52 4.2 Favored 'Trans proline' 0 N--CA 1.49 1.266 0 C-N-CA 122.419 2.079 . . . . 0.0 111.849 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.33 -36.63 7.54 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.331 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 90' ' ' SER . 11.3 p -136.75 151.6 72.82 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.05 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.19 -38.42 41.06 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 122.136 1.891 . . . . 0.0 112.512 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.434 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 40.7 t -103.01 127.88 50.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.67 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 123.51 149.89 7.88 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.498 ' NH2' ' OD2' ' A' ' 117' ' ' ASP . 86.6 mtm180 -132.89 132.52 42.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.796 0.332 . . . . 0.0 110.503 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.7 p -150.53 148.91 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.693 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -140.87 159.64 41.77 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.317 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 105' ' ' LEU . 8.0 p -135.97 142.58 38.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.361 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.3 mt -104.54 142.3 34.87 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.387 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.33 116.48 25.62 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.075 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.547 ' O ' ' N ' ' A' ' 102' ' ' SER . 41.1 m-85 -89.9 109.54 20.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.357 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.36 -10.95 59.92 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.801 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -93.79 -15.0 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.131 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.99 4.5 2.12 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 98' ' ' PHE . 25.8 m 49.3 32.32 4.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.831 0.348 . . . . 0.0 110.338 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.441 ' HD3' HD21 ' A' ' 105' ' ' LEU . 24.4 ttmt -90.22 141.31 28.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.787 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -120.67 119.41 32.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.705 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 95' ' ' VAL . 89.4 mt -114.63 139.21 49.82 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.452 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -116.54 126.22 53.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.621 -179.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -142.21 161.82 37.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.284 0.564 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.514 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.8 p-90 -144.38 155.91 43.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.531 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.9 mmm -77.11 62.76 2.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.947 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -8.31 7.43 Favored 'General case' 0 CA--C 1.513 -0.473 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.028 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.31 148.91 78.27 Favored Pre-proline 0 N--CA 1.445 -0.683 0 C-N-CA 120.266 -0.574 . . . . 0.0 110.405 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -51.09 -43.78 46.26 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 121.976 1.784 . . . . 0.0 112.999 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.8 ptmt 177.84 -172.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.506 ' C ' ' H ' ' A' ' 116' ' ' GLN . 0.0 OUTLIER -169.48 -18.4 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.631 179.697 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 61.29 -2.17 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.692 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.506 ' H ' ' C ' ' A' ' 114' ' ' THR . 95.7 mt-30 -136.41 27.34 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.313 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.498 ' OD2' ' NH2' ' A' ' 92' ' ' ARG . 65.9 t0 -59.13 -43.79 92.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.772 -179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.36 -46.16 87.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.441 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.96 -40.45 91.29 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.683 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.698 ' O ' HG23 ' A' ' 124' ' ' VAL . 50.4 m170 -65.21 -46.72 79.53 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.79 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 54.0 t -63.61 -48.08 78.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.353 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -63.46 -45.01 92.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.755 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -41.92 94.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.515 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.2 t -63.7 -40.86 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.452 179.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.4 -42.4 98.67 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.861 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 130' ' ' ASN . 76.4 mm-40 -66.46 -41.74 88.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.924 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -61.43 -44.25 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.447 ' CD1' HG21 ' A' ' 57' ' ' ILE . 3.4 tp -74.79 -24.17 58.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.58 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -101.48 5.16 41.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.696 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 126' ' ' GLU . 63.1 t30 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.674 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 N--CA 1.488 1.472 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 941' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' B' ' 941' ' ' GLU . 47.3 mp0 -130.45 150.45 76.28 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.095 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 942' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' B' ' 941' ' ' GLU . 53.9 Cg_exo -47.57 -175.67 0.0 OUTLIER 'Trans proline' 0 N--CA 1.497 1.727 0 C-N-CA 122.263 1.975 . . . . 0.0 111.926 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 943' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' B' ' 943' ' ' GLU . 56.6 mp0 -117.64 86.56 23.86 Favored Pre-proline 0 C--O 1.236 0.348 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 944' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 945' ' ' PRO . 51.3 Cg_exo -53.91 133.24 53.84 Favored 'Trans proline' 0 C--N 1.313 -1.32 0 C-N-CA 122.191 1.928 . . . . 0.0 113.089 -178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 945' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' B' ' 944' ' ' PRO . 50.4 Cg_exo -48.43 -175.8 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.591 2.194 . . . . 0.0 111.679 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -119.67 149.27 47.88 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.116 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.04 128.32 21.88 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.021 1.814 . . . . 0.0 113.039 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 948' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 23.3 p90 -153.27 145.91 24.24 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' B' ' 949' ' ' GLU . 34.2 mp0 -86.36 132.14 34.04 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.813 0.339 . . . . 0.0 111.152 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -96.53 111.65 23.69 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-O 121.244 0.545 . . . . 0.0 110.203 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 951' ' ' ILE . . . . . 0.535 ' O ' HG23 ' B' ' 951' ' ' ILE . 18.2 tt -130.46 120.0 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.148 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -59.49 81.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.209 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 953' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.692 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.24 -39.79 94.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.667 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.425 ' CD2' ' OE1' ' A' ' 25' ' ' GLU . 3.8 m-30 -87.08 94.92 9.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.5 tp -100.16 -43.71 6.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.275 0.559 . . . . 0.0 109.869 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 72.0 t -139.51 135.32 40.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.67 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.425 ' OE1' ' CD2' ' A' ' 22' ' ' TYR . 8.8 pt-20 -164.03 149.35 10.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.6 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CE2' ' OE1' ' A' ' 111' ' ' GLU . 2.8 t80 -171.85 150.09 2.57 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.692 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -75.33 155.0 37.0 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -158.21 156.14 30.25 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 121.195 0.522 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 141.61 16.62 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.188 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.6 ttpt -100.42 163.1 12.53 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.421 ' SD ' HG11 ' A' ' 93' ' ' VAL . 80.4 mtp -113.69 140.66 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.503 ' OG ' ' NZ ' ' A' ' 34' ' ' LYS . 25.2 t -77.75 122.98 26.11 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.8 tp -111.57 121.77 46.03 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.992 0.425 . . . . 0.0 110.957 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.503 ' NZ ' ' OG ' ' A' ' 32' ' ' SER . 5.0 ptpt -153.42 139.15 17.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.475 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.27 3.13 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.57 64.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.57 0.7 . . . . 0.0 109.514 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.1 m -151.39 106.39 3.29 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.822 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.9 t -95.92 106.48 18.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.351 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -127.24 158.71 68.43 Favored Pre-proline 0 N--CA 1.454 -0.27 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.657 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.43 126.96 20.49 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 121.61 1.54 . . . . 0.0 111.739 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -85.09 143.67 28.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.09 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -80.38 -9.35 59.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.514 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -87.55 126.07 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.798 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -85.84 152.86 22.66 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.837 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -137.36 163.72 25.4 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.797 HD23 ' N ' ' A' ' 47' ' ' VAL . 4.4 tt -125.88 134.35 51.63 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.805 0.336 . . . . 0.0 110.44 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.797 ' N ' HD23 ' A' ' 46' ' ' LEU . 97.0 t -99.69 120.44 49.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.323 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.676 ' CD1' HD22 ' A' ' 46' ' ' LEU . 6.1 m-85 -120.13 124.97 47.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.363 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.53 HG23 HG23 ' A' ' 57' ' ' ILE . 77.7 mt -129.0 130.95 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.182 0.515 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -145.53 138.79 26.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.614 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -94.14 129.53 40.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.313 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -78.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.028 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -179.37 -22.01 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -94.54 26.96 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m 70.9 26.09 3.72 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.136 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 57' ' ' ILE . 85.5 mt -109.25 136.85 48.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.292 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.53 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -103.6 133.32 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.183 0.516 . . . . 0.0 110.665 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -98.81 110.26 22.89 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.48 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -94.58 116.89 29.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.126 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.9 m -122.51 130.83 53.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.476 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -112.17 110.31 20.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' HG3' HG12 ' A' ' 69' ' ' VAL . 45.3 mttt -103.18 147.33 27.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.02 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.571 ' O ' ' N ' ' A' ' 67' ' ' GLY . 7.8 m-20 -96.98 124.48 40.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.504 179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -66.78 -40.59 88.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.076 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.1 m -65.0 -45.47 85.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.219 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.7 m -86.55 -29.16 22.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.087 0.47 . . . . 0.0 110.152 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.13 16.36 75.03 Favored Glycine 0 CA--C 1.521 0.435 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -122.71 163.78 19.5 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.121 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG12 ' HG3' ' A' ' 62' ' ' LYS . 29.0 m -75.27 126.21 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.829 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -95.04 -40.46 9.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.69 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -151.73 138.64 19.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.034 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 51.8 p-10 -150.74 131.18 13.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.741 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.0 pp -161.33 151.05 16.86 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.993 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 82.0 mt -81.83 134.83 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.64 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -119.07 125.16 74.24 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.006 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -71.26 152.67 94.37 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.198 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.441 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 24.5 Cg_endo -62.52 140.48 81.93 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 121.486 1.457 . . . . 0.0 111.083 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.441 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 7.2 t0 76.65 -13.82 0.89 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.025 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.43 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 65.8 t0 -87.42 77.31 8.9 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 120.263 -0.575 . . . . 0.0 110.198 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.43 ' SG ' ' O ' ' A' ' 79' ' ' ASP . 0.8 OUTLIER 171.25 97.09 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.378 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.504 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.3 tm-20 -82.27 131.99 35.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.463 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.6 p90 -115.67 134.56 54.92 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.945 0.402 . . . . 0.0 110.6 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -143.38 167.66 21.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.56 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -114.83 145.55 42.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.562 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.8 t -116.31 91.05 31.55 Favored Pre-proline 0 CA--C 1.532 0.251 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.97 108.36 0.55 Allowed 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 121.909 1.74 . . . . 0.0 112.524 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.525 ' OE1' ' CG ' ' B' ' 948' ' ' PHE . 91.7 mm-40 -113.49 -26.12 8.45 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.622 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.7 p -149.75 152.91 35.58 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.65 -22.74 70.13 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.409 2.073 . . . . 0.0 112.019 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.1 t -114.82 112.46 22.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.05 163.96 37.87 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -164.61 167.56 19.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.51 0.195 . . . . 0.0 110.61 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.421 HG11 ' SD ' ' A' ' 31' ' ' MET . 27.5 m -119.18 155.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -105.81 143.18 34.31 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 95' ' ' VAL . 6.1 p -123.58 130.45 74.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.621 -179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 81' ' ' GLU . 1.3 mm? -110.53 121.23 44.81 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.209 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.99 128.05 55.16 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.367 0.417 . . . . 0.0 110.103 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.424 ' CE1' ' NZ ' ' A' ' 103' ' ' LYS . 66.3 m-85 -87.42 119.48 27.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.161 0.505 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -64.8 -35.57 81.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.167 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.37 -29.35 70.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.164 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.78 -148.09 7.27 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.0 p -142.27 11.85 1.95 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.839 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.424 ' NZ ' ' CE1' ' A' ' 98' ' ' PHE . 0.6 OUTLIER -82.23 154.39 25.44 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.678 -179.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' NE ' ' OH ' ' B' ' 950' ' ' TYR . 0.0 OUTLIER -133.82 137.96 45.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.127 179.404 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 107' ' ' PHE . 1.1 mm? -116.16 149.85 38.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -115.1 115.62 27.08 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.257 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CE1' HD12 ' A' ' 105' ' ' LEU . 65.1 m-85 -137.22 152.47 49.89 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.212 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.461 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 4.3 p-90 -149.61 155.75 40.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.522 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.43 ' O ' ' CG2' ' A' ' 114' ' ' THR . 0.0 OUTLIER -71.65 62.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.207 -179.242 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -63.56 -23.63 67.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.504 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 114' ' ' THR . 87.9 tt0 -46.55 124.24 7.5 Favored Pre-proline 0 CA--C 1.539 0.531 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.88 -25.87 16.76 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.503 2.135 . . . . 0.0 113.393 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.59 ' O ' ' N ' ' A' ' 115' ' ' ASP . 25.1 mtpp -61.97 -45.05 95.35 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.418 -178.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 111' ' ' GLU . 1.9 p 22.02 40.86 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 O-C-N 124.066 0.854 . . . . 0.0 111.963 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' A' ' 113' ' ' LYS . 97.8 m-20 -101.53 -28.56 12.47 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -122.15 27.13 8.16 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 121.131 0.491 . . . . 0.0 110.146 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 34.7 p-10 -58.88 -38.47 78.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.88 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.486 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 98.9 mt-10 -65.36 -41.87 93.35 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.954 0.407 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.41 -40.47 81.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.717 ' O ' HG22 ' A' ' 124' ' ' VAL . 47.7 m-70 -64.05 -42.69 96.96 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.776 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.467 ' SG ' ' O ' ' A' ' 118' ' ' GLU . 22.3 p -69.76 -37.19 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.919 0.39 . . . . 0.0 110.277 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . 0.409 ' N ' ' SG ' ' A' ' 121' ' ' CYS . 24.0 mmt180 -73.1 -41.77 63.68 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.099 0.476 . . . . 0.0 110.184 178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -67.79 -43.59 79.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.904 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 120' ' ' HIS . 33.0 m -69.53 -37.81 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.452 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.41 ' N ' HG23 ' A' ' 124' ' ' VAL . 45.0 t30 -61.58 -44.22 97.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.017 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.96 -44.11 96.94 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -66.03 -42.3 89.79 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.424 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.401 HD11 HG21 ' A' ' 57' ' ' ILE . 1.5 tp -75.66 -29.57 59.12 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.885 0.374 . . . . 0.0 110.604 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 130' ' ' ASN . 24.2 t-20 -87.5 -15.63 37.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.562 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 129' ' ' ASN . 7.3 t30 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.469 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 940' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' B' ' 940' ' ' GLN . 7.4 mp0 . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -127.98 82.78 67.76 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.566 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -56.23 148.09 62.44 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.739 2.293 . . . . 0.0 112.06 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 943' ' ' GLU . . . . . 0.529 ' H ' ' CD ' ' B' ' 943' ' ' GLU . 0.8 OUTLIER -100.06 108.08 50.24 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.595 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 944' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 945' ' ' PRO . 83.9 Cg_exo -50.69 131.25 32.89 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.075 1.85 . . . . 0.0 112.369 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 945' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 944' ' ' PRO . 52.3 Cg_exo -48.72 -177.77 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 121.812 1.675 . . . . 0.0 112.193 178.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 946' ' ' GLU . . . . . 0.546 ' N ' ' OE1' ' B' ' 946' ' ' GLU . 40.3 mp0 -114.75 150.7 44.45 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.592 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -59.44 131.96 43.57 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.052 1.834 . . . . 0.0 112.803 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 948' ' ' PHE . . . . . 0.525 ' CG ' ' OE1' ' A' ' 87' ' ' GLN . 42.6 p90 -149.16 159.92 43.82 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -92.61 123.25 35.77 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.303 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 950' ' ' TYR . . . . . 0.439 ' OH ' ' NE ' ' A' ' 104' ' ' ARG . 23.4 t80 -94.78 96.8 9.61 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.689 0.756 . . . . 0.0 110.008 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 951' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.8 mt -121.68 127.74 75.6 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 CA-C-N 114.225 -1.352 . . . . 0.0 108.939 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -65.29 80.45 0.05 Allowed 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.858 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 953' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.1 t0 . . . . . 0 C--O 1.221 -0.446 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.611 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -80.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -114.86 124.05 50.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.319 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.81 -62.91 1.37 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.049 0.452 . . . . 0.0 110.055 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.591 HG23 ' HB ' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -141.08 118.01 7.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.439 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 20.6 pm0 -140.7 143.01 34.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.779 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.4 OUTLIER 179.59 173.84 0.85 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.417 ' HA ' HD12 ' A' ' 46' ' ' LEU . 16.0 mtm-85 -88.64 164.25 15.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.426 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.76 159.23 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.363 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.67 144.38 17.92 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -92.08 -171.75 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 0.0 110.597 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.472 ' CE ' HG12 ' A' ' 38' ' ' VAL . 62.7 mtp -130.71 137.84 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.379 179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.7 108.65 9.87 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD22 ' CZ ' ' A' ' 106' ' ' PHE . 35.9 tp -104.26 103.67 13.45 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.393 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 35' ' ' GLY . 21.9 mtmt -140.04 136.24 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.688 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' ' 36' ' ' THR . . . 39.44 56.26 2.43 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 35' ' ' GLY . 5.5 p 49.37 63.53 2.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.077 0.465 . . . . 0.0 110.077 -178.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 39' ' ' THR . 17.1 m -146.63 109.09 4.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.562 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CE ' ' A' ' 31' ' ' MET . 17.1 t -101.64 102.31 13.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.671 -179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 37' ' ' THR . 0.1 OUTLIER -127.16 161.21 55.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 O-C-N 123.328 0.392 . . . . 0.0 110.297 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.97 123.28 13.48 Favored 'Trans proline' 0 C--N 1.31 -1.479 0 C-N-CA 122.386 2.057 . . . . 0.0 112.469 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -71.42 129.04 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.616 179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -64.35 -27.49 69.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.496 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -80.56 146.19 31.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -102.7 137.57 40.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.55 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.1 160.86 13.0 Favored Glycine 0 CA--C 1.52 0.369 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 27' ' ' ARG . 25.4 tp -117.74 120.69 38.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.665 0.269 . . . . 0.0 110.292 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 52.8 t -92.39 116.48 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -130.28 121.62 26.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.689 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.591 ' HB ' HG23 ' A' ' 24' ' ' VAL . 49.0 mt -131.67 130.8 62.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.559 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -128.92 134.11 48.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.286 179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -89.73 129.14 36.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.616 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.558 ' OG1' ' NE2' ' A' ' 50' ' ' GLN . 2.0 m -134.03 143.89 48.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.222 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.73 -21.68 25.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' H ' HG22 ' A' ' 52' ' ' THR . 71.6 m-20 -104.08 5.33 35.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -155.92 14.46 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.067 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 76' ' ' PHE . 16.2 mt 54.94 -151.89 0.37 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.555 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.5 mp -87.47 126.18 41.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -101.21 114.64 28.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.166 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -94.6 120.86 35.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.956 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.2 t -127.03 130.3 49.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.457 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -120.87 111.59 17.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.297 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 46' ' ' LEU . 1.1 mtpp -110.19 156.38 20.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.611 -179.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.615 ' O ' ' N ' ' A' ' 67' ' ' GLY . 35.0 p30 -97.07 125.19 41.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.687 179.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -66.67 -29.08 69.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.078 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 t -67.41 -29.71 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.05 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.436 ' OG ' ' OD1' ' A' ' 63' ' ' ASP . 1.1 p -116.22 -20.92 9.61 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.994 0.426 . . . . 0.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.615 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.85 18.4 72.41 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.396 -1.082 . . . . 0.0 110.396 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -114.52 154.0 29.02 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.84 0.352 . . . . 0.0 111.293 -179.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.26 134.22 29.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.378 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.83 -36.68 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.508 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -166.29 132.13 2.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.802 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 49.1 p-10 -136.43 130.67 33.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.605 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 68.6 mt -143.4 148.4 36.12 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.294 0.569 . . . . 0.0 110.496 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.4 mt -84.51 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.355 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.62 HG21 HD12 ' A' ' 128' ' ' LEU . 4.4 mm -113.55 124.02 69.78 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.265 0.555 . . . . 0.0 110.355 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.401 ' HA ' HD13 ' A' ' 56' ' ' LEU . 89.0 m-85 -75.75 149.02 82.95 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.391 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 41.7 Cg_endo -67.38 64.73 0.74 Allowed 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.595 2.196 . . . . 0.0 112.149 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.2 OUTLIER 163.57 -19.87 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.853 179.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 67.1 t0 -96.42 98.81 10.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.649 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.468 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 165.86 99.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.446 179.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -107.9 128.76 54.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.282 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -109.43 137.55 47.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 77.6 mttt -124.26 147.26 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.553 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -118.15 133.41 55.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.282 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 85' ' ' VAL . 10.1 m -115.2 89.41 20.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.875 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -83.51 83.49 1.83 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -102.46 -11.68 18.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 4.9 p -140.65 150.61 60.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.145 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.81 -20.92 58.53 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 122.539 2.16 . . . . 0.0 112.249 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.5 t -137.99 146.28 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.56 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.74 40.66 4.91 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -63.12 141.9 58.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.643 0.258 . . . . 0.0 110.372 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.5 m -128.91 156.95 41.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -117.27 137.4 52.43 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.318 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 87.1 t -118.69 121.71 67.64 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.557 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.2 mt -99.01 134.65 41.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.565 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -124.81 129.5 50.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.921 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 101' ' ' GLY . 54.9 m-85 -87.24 119.78 27.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.154 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -65.58 -31.21 72.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.496 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.88 -23.46 66.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.741 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 98' ' ' PHE . . . -146.36 -152.07 5.56 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 p -122.21 14.62 10.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.754 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.596 ' CB ' ' NZ ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -65.24 132.97 50.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.546 179.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.3 129.59 55.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.731 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.6 mt -115.33 133.69 55.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.348 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.456 ' CZ ' HD22 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -125.94 124.2 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -156.52 167.59 29.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.29 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.481 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 8.7 p-90 -145.03 159.54 42.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.84 61.96 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.81 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.584 HE21 ' C ' ' A' ' 110' ' ' GLN . 0.0 OUTLIER -65.29 -12.57 53.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.915 -179.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -61.95 148.27 88.4 Favored Pre-proline 0 C--N 1.32 -0.706 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.253 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.64 -24.07 63.02 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 122.495 2.13 . . . . 0.0 112.472 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -83.13 93.06 7.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.06 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 70.7 p -107.35 16.4 23.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.909 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -87.82 -4.22 58.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -136.11 23.06 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.492 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.345 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -70.4 -41.01 73.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.96 0.41 . . . . 0.0 110.592 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -69.37 -40.49 77.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.13 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.516 ' O ' HG23 ' A' ' 124' ' ' VAL . 21.5 t-80 -65.27 -46.18 81.51 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.426 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.6 t -61.33 -47.22 86.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.347 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -67.49 -45.37 76.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.96 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.81 -44.61 89.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.816 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.0 t -63.51 -44.26 98.67 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.523 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.76 -40.24 96.21 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.739 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 130' ' ' ASN . 53.3 tp10 -63.49 -44.6 93.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.904 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -65.0 -44.01 90.64 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.192 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.62 HD12 HG21 ' A' ' 75' ' ' ILE . 4.0 mm? -71.71 -38.54 70.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.859 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -99.14 11.98 37.47 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.425 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 126' ' ' GLU . 51.0 p30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.615 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -116.22 147.62 39.81 Favored Pre-proline 0 CA--C 1.533 0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -71.74 157.14 56.08 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.814 2.343 . . . . 0.0 112.126 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -94.63 112.94 59.79 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.421 -0.511 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -75.3 150.6 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.699 1.599 . . . . 0.0 113.277 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -69.01 -176.57 1.32 Allowed 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.955 2.436 . . . . 0.0 111.601 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -118.25 151.8 49.8 Favored Pre-proline 0 N--CA 1.453 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.602 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -59.83 128.78 27.99 Favored 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.244 1.963 . . . . 0.0 112.576 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 948' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 30.7 p90 -148.43 150.73 33.99 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.306 -0.558 . . . . 0.0 109.564 178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 29.4 mp0 -86.07 125.4 33.42 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.821 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -88.25 109.77 20.2 Favored 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.193 0.52 . . . . 0.0 110.252 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 951' ' ' ILE . . . . . 0.593 ' O ' HG23 ' B' ' 951' ' ' ILE . 17.9 tt -134.79 117.08 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.171 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 952' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 53.1 p-10 -58.02 81.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.679 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 953' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' B' ' 951' ' ' ILE . 59.2 p30 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.677 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.5 p30 . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -62.1 -42.13 98.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.575 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -80.8 101.15 9.17 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.431 HD12 ' H ' ' A' ' 51' ' ' GLN . 92.0 mt -79.83 -44.65 20.16 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.697 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.8 t -130.12 129.49 65.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.148 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -159.78 141.89 13.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.676 ' CZ ' HG11 ' A' ' 47' ' ' VAL . 52.6 p90 -159.44 159.14 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.91 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -83.29 149.02 27.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.406 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.66 149.14 26.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.068 0.461 . . . . 0.0 110.228 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' O ' ' CD1' ' A' ' 108' ' ' TRP . . . -107.58 141.89 15.73 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 110.756 -0.937 . . . . 0.0 110.756 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.51 173.93 7.54 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 40.5 mtp -124.67 141.75 51.88 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.3 t -77.13 142.75 39.58 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.472 HD21 HG22 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -123.32 118.25 27.11 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.834 0.35 . . . . 0.0 110.607 -179.586 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' GLY . 40.8 mttt -144.9 125.1 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 30.73 66.91 0.13 Allowed Glycine 0 N--CA 1.469 0.886 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 p 50.16 63.63 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.412 0.625 . . . . 0.0 110.164 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.5 m -149.1 123.17 9.45 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG22 HD21 ' A' ' 33' ' ' LEU . 61.8 t -116.73 120.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 O-C-N 123.137 0.273 . . . . 0.0 111.022 -178.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.81 161.33 46.66 Favored Pre-proline 0 C--N 1.326 -0.438 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.549 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.33 122.67 12.2 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.044 1.83 . . . . 0.0 111.928 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -79.18 143.26 35.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.481 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -71.57 -27.48 63.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.705 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -75.7 146.64 40.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.18 134.28 47.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.987 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.83 146.14 17.02 Favored Glycine 0 CA--C 1.518 0.242 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.1 tp -115.97 124.78 51.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.676 HG11 ' CZ ' ' A' ' 26' ' ' PHE . 65.0 t -98.98 116.31 41.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -120.58 123.62 43.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.316 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.504 HG23 HG23 ' A' ' 57' ' ' ILE . 78.7 mt -124.68 129.2 73.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.036 0.446 . . . . 0.0 110.749 179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.519 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -135.61 134.51 39.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.381 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.431 ' H ' HD12 ' A' ' 23' ' ' LEU . 51.0 tt0 -98.79 125.7 44.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 62.2 p -87.88 171.46 10.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.559 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -75.1 -0.91 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.759 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -95.64 8.73 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 69.54 26.4 5.11 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.052 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.1 mt -116.58 137.43 52.18 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.699 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.504 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -98.58 131.93 44.75 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 121.047 0.451 . . . . 0.0 110.563 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -98.55 115.44 28.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.729 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -99.43 117.69 34.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.264 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 51.6 t -125.37 125.32 43.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.324 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.548 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 80.6 t90 -117.37 109.92 17.4 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.669 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.0 mtmm -114.44 147.52 39.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.585 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.6 m-20 -79.62 101.01 8.09 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.876 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.6 ttp85 -51.55 -29.72 18.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.86 0.362 . . . . 0.0 110.427 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.2 m -61.14 -44.93 96.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.358 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -104.59 -16.17 15.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 68.68 15.8 69.17 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.135 -1.186 . . . . 0.0 110.135 -179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -101.65 137.7 39.62 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 111.274 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 m -65.23 135.8 27.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' O ' ' OD1' ' A' ' 71' ' ' ASP . 10.3 mm-40 -115.6 -41.15 3.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.826 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 70' ' ' GLU . 7.5 m-20 -143.46 135.2 26.47 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.675 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 45.1 p-10 -152.67 117.8 5.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.9 tp -155.59 144.69 20.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 120.945 0.403 . . . . 0.0 110.067 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.0 mt -76.29 138.14 21.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.257 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 84.2 mt -117.64 124.48 73.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.483 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' O ' ' N ' ' A' ' 78' ' ' ASP . 79.9 m-85 -78.3 124.27 85.71 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.069 179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.443 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 67.1 Cg_exo -44.15 82.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.02 1.813 . . . . 0.0 112.819 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 76' ' ' PHE . 1.0 OUTLIER 163.94 -24.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.75 179.521 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' O ' ' CB ' ' A' ' 80' ' ' CYS . 99.0 m-20 -103.87 104.16 14.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.271 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.493 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.1 OUTLIER 161.78 96.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.097 179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.44 ' O ' HD13 ' A' ' 96' ' ' LEU . 37.7 tt0 -105.58 135.04 47.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.208 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -111.83 147.59 35.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.829 0.347 . . . . 0.0 110.838 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -135.49 149.08 49.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.7 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -112.83 129.28 56.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.143 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -114.39 91.44 24.18 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.473 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -83.09 84.51 1.72 Allowed 'Trans proline' 0 C--N 1.318 -1.051 0 C-N-CA 122.518 2.145 . . . . 0.0 112.441 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.81 -30.88 16.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 91.0 m -134.34 148.62 68.45 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.767 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.64 -23.5 49.21 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.424 2.083 . . . . 0.0 112.263 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.408 ' OG ' ' OE2' ' B' ' 943' ' ' GLU . 29.7 t -101.2 127.1 47.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.893 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.56 162.67 38.55 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -135.91 134.14 38.4 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.176 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.4 t -124.15 128.64 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -118.19 145.34 45.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.603 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.3 t -120.36 131.64 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.958 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.478 HD11 ' SG ' ' A' ' 80' ' ' CYS . 0.2 OUTLIER -104.89 117.31 33.72 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.602 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -105.84 118.11 35.75 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.582 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -90.38 96.75 10.81 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -62.5 -19.51 63.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.652 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.67 -28.59 66.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.005 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -136.46 6.63 3.92 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.582 ' N ' ' O ' ' A' ' 98' ' ' PHE . 34.8 m 54.82 46.72 23.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.59 0.233 . . . . 0.0 110.81 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.41 ' HD2' HD23 ' A' ' 105' ' ' LEU . 1.7 ttmt -110.74 138.72 46.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.657 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.547 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -114.15 135.21 54.28 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.896 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.717 HD12 ' CE1' ' A' ' 107' ' ' PHE . 0.4 OUTLIER -125.91 150.07 48.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.626 179.467 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -114.0 127.44 55.95 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.893 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.717 ' CE1' HD12 ' A' ' 105' ' ' LEU . 53.8 m-85 -151.8 157.48 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.518 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 5.6 p-90 -148.49 158.46 44.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.58 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 51.7 mmm -70.33 59.93 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.775 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.411 ' CG ' ' CH2' ' A' ' 108' ' ' TRP . 19.9 tm0? -65.72 -17.71 64.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.486 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.76 149.17 80.76 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.546 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.85 -37.01 76.42 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.078 1.852 . . . . 0.0 112.665 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -69.92 97.62 1.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.549 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 11.7 t -121.46 7.7 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.378 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.01 -5.79 29.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.396 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.83 27.1 3.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.053 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.416 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 18.2 p-10 -62.33 -37.17 84.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.083 -179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.13 -43.95 96.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.323 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -65.83 -41.25 92.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 124' ' ' VAL . 59.1 m-70 -63.69 -44.69 92.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 92.8 m -65.71 -42.1 91.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.411 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -63.91 -43.89 94.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.396 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -44.79 80.45 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.554 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.1 t -63.24 -41.84 94.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.61 -41.05 98.77 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.814 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -61.76 -45.06 95.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.872 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -59.94 -45.26 93.2 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.917 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 6.1 mp -71.87 -30.36 65.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.76 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -86.41 -10.66 53.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.789 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.588 -179.751 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -89.56 150.06 43.59 Favored Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.006 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -46.69 170.35 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 122.184 1.922 . . . . 0.0 112.046 178.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 943' ' ' GLU . . . . . 0.408 ' OE2' ' OG ' ' A' ' 90' ' ' SER . 87.2 tt0 -123.36 84.57 52.22 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.054 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -57.08 142.53 94.23 Favored 'Trans proline' 0 N--CA 1.496 1.625 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -73.9 -177.54 3.23 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.543 2.162 . . . . 0.0 111.759 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.07 153.42 42.56 Favored Pre-proline 0 CA--C 1.532 0.271 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.062 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.74 128.74 19.19 Favored 'Trans proline' 0 N--CA 1.495 1.594 0 C-N-CA 121.68 1.587 . . . . 0.0 112.507 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -149.49 148.78 29.81 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 120.424 -0.511 . . . . 0.0 109.644 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -85.88 135.75 33.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.075 0.464 . . . . 0.0 110.958 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 950' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' B' ' 950' ' ' TYR . 3.1 t80 -99.16 96.28 7.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.468 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 951' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' B' ' 953' ' ' ASP . 96.9 mt -124.96 126.0 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.939 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.79 81.0 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.225 0.536 . . . . 0.0 109.968 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 953' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' B' ' 951' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.984 -1.007 . . . . 0.0 110.663 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -60.44 -39.4 87.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.78 109.09 21.45 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.524 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.586 HD12 ' H ' ' A' ' 51' ' ' GLN . 90.3 mt -96.94 -48.86 5.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.377 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.7 t -130.81 122.85 53.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.004 0.431 . . . . 0.0 109.936 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -146.67 126.14 13.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' CE1' ' NE2' ' A' ' 120' ' ' HIS . 0.9 OUTLIER -161.86 -166.81 1.53 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.49 -179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.7 mtt-85 -109.24 156.37 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.418 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.05 140.56 15.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.506 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.62 132.09 10.97 Favored Glycine 0 N--CA 1.465 0.57 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.8 mtpt -86.09 -169.96 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.771 0.32 . . . . 0.0 110.548 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 24.9 mtp -126.84 144.63 50.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.481 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.4 t -82.26 121.87 27.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.167 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -108.37 109.39 20.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.051 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -146.55 128.74 15.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.593 -179.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.65 60.03 1.25 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 49.57 62.34 2.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.286 0.565 . . . . 0.0 109.973 -178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.8 m -145.96 125.71 13.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.149 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.5 t -118.43 107.31 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.806 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -130.96 168.81 15.64 Favored Pre-proline 0 N--CA 1.451 -0.38 0 O-C-N 123.82 0.7 . . . . 0.0 110.515 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.44 127.19 24.3 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 C-N-CA 122.641 2.228 . . . . 0.0 112.071 179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -82.03 108.48 15.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.421 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -56.52 -20.8 22.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.511 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -87.12 99.88 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.245 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 pttp -78.84 140.72 38.12 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.453 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.85 178.34 16.54 Favored Glycine 0 N--CA 1.46 0.266 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.2 129.99 52.78 Favored 'General case' 0 CA--C 1.52 -0.196 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.814 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 47' ' ' VAL . 14.9 p -98.72 118.07 44.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.593 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 48' ' ' TYR . 1.4 t80 -126.82 122.63 35.28 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.472 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.446 ' CG2' HG23 ' A' ' 57' ' ' ILE . 48.7 mt -126.29 136.26 61.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 -178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.55 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -138.16 144.72 40.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.838 178.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.586 ' H ' HD12 ' A' ' 23' ' ' LEU . 1.5 tt0 -89.5 127.12 35.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 53' ' ' ASP . 22.2 m -87.97 157.68 18.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.439 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 55' ' ' SER . 94.5 m-20 -59.37 -37.88 79.05 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.8 m-20 -61.63 -0.94 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.547 ' C ' HD12 ' A' ' 56' ' ' LEU . 3.0 p 83.02 18.31 0.26 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.475 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.729 HD21 ' CE2' ' A' ' 76' ' ' PHE . 11.2 mp -108.38 149.45 28.7 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.592 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.649 HG21 HD21 ' A' ' 128' ' ' LEU . 1.4 mp -100.6 129.13 51.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 0.0 110.497 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -94.6 117.92 30.88 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.557 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.435 ' HB2' HD12 ' A' ' 75' ' ' ILE . 74.7 t80 -98.61 113.68 25.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.441 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.7 m -121.71 125.37 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.552 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.527 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 81.2 t90 -125.07 113.76 18.18 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.103 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 156.47 23.6 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.062 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.585 ' O ' ' N ' ' A' ' 67' ' ' GLY . 99.2 m-20 -86.59 130.52 34.46 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -68.97 -38.57 79.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.92 0.391 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 97.8 m -63.33 -44.24 95.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.8 m -94.23 -29.13 15.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.956 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.585 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 72.16 16.03 76.81 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.796 -0.921 . . . . 0.0 110.796 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -108.98 157.17 18.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.757 0.313 . . . . 0.0 110.703 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 69' ' ' VAL . 21.8 m -81.8 130.15 36.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -110.57 -35.21 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.565 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -136.49 123.25 21.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.405 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.27 113.22 4.5 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.371 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.6 tp -154.99 148.9 25.68 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 120.793 0.33 . . . . 0.0 110.395 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.481 HG21 HD23 ' A' ' 56' ' ' LEU . 87.4 mt -74.95 139.1 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.435 HD12 ' HB2' ' A' ' 59' ' ' PHE . 82.8 mt -123.59 125.35 71.29 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.729 ' CE2' HD21 ' A' ' 56' ' ' LEU . 49.0 m-85 -75.68 151.26 84.73 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 19.0 Cg_endo -59.24 132.89 49.3 Favored 'Trans proline' 0 C--N 1.3 -1.993 0 C-N-CA 122.771 2.314 . . . . 0.0 112.283 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.5 t70 79.7 -12.15 1.1 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.559 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -61.74 -46.24 90.49 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.893 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.34 124.12 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.634 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -107.72 149.54 28.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.502 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' O ' ' CG ' ' A' ' 82' ' ' PHE . 17.2 p90 -100.97 134.06 44.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.344 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -131.23 164.3 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.606 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -116.94 139.18 50.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.426 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.749 ' O ' HG13 ' A' ' 85' ' ' VAL . 10.4 p -115.69 90.72 27.46 Favored Pre-proline 0 CA--C 1.529 0.143 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.118 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.83 102.5 0.05 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.631 2.221 . . . . 0.0 112.329 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.564 ' OE1' ' CZ ' ' B' ' 948' ' ' PHE . 15.3 mt-30 -102.58 -45.92 4.9 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.403 179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.616 ' SG ' ' N ' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -154.55 156.02 31.19 Favored Pre-proline 0 C--O 1.231 0.127 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.346 179.573 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 17.8 Cg_endo -59.27 -35.09 97.87 Favored 'Trans proline' 0 C--N 1.302 -1.87 0 C-N-CA 122.901 2.401 . . . . 0.0 112.479 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.555 ' N ' ' SG ' ' A' ' 88' ' ' CYS . 88.1 p -105.27 6.2 32.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.729 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.616 ' N ' ' SG ' ' A' ' 88' ' ' CYS . . . -133.16 133.3 6.93 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 -179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -140.48 154.46 46.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.571 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 94' ' ' TYR . 49.9 t -137.34 154.94 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.718 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.428 ' N ' ' CG1' ' A' ' 93' ' ' VAL . 96.1 m-85 -103.36 138.06 40.63 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.446 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.4 t -127.62 126.1 66.55 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.689 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 23.9 mt -106.68 138.66 42.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.558 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -125.6 131.43 52.7 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.807 0.337 . . . . 0.0 110.355 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -89.82 111.66 22.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.464 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -61.81 -26.01 67.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.713 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.02 -24.7 67.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.473 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -145.01 -127.89 2.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 60.1 m -146.79 19.75 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.631 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -71.41 140.58 50.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.772 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.99 130.42 52.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.366 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.616 HD23 ' N ' ' A' ' 106' ' ' PHE . 2.0 tt -119.39 118.73 31.94 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.616 ' N ' HD23 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -110.64 126.08 54.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -154.85 171.78 19.07 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.554 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.4 p-90 -140.04 155.42 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.45 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.08 64.94 0.36 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.378 0.609 . . . . 0.0 111.15 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -63.62 -4.93 3.33 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.207 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -60.07 147.58 80.05 Favored Pre-proline 0 N--CA 1.449 -0.482 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.436 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.84 -41.03 64.97 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -79.43 102.42 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.705 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 49.4 p -112.1 1.02 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -91.12 -15.91 28.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -117.98 15.55 14.23 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.363 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 118' ' ' GLU . 47.3 p-10 -63.06 -32.28 73.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.945 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.511 ' N ' ' OD1' ' A' ' 117' ' ' ASP . 88.8 tt0 -63.31 -47.35 82.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.722 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.8 -41.61 97.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.684 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.429 ' NE2' ' CE1' ' A' ' 26' ' ' PHE . 62.5 m80 -64.36 -44.19 92.18 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.536 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 99.6 m -66.62 -40.59 88.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.238 0.542 . . . . 0.0 110.46 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -71.43 -40.48 70.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -69.04 -43.25 75.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.157 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.8 -31.92 54.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 129' ' ' ASN . 26.4 t-20 -65.55 -44.03 88.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.254 0.55 . . . . 0.0 110.522 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.87 -43.47 98.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.631 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -64.06 -40.83 97.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.596 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.649 HD21 HG21 ' A' ' 57' ' ' ILE . 72.4 mt -83.07 -14.94 52.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 125' ' ' ASN . 25.4 t-20 -106.03 6.93 31.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.49 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.707 -179.719 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -69.11 148.21 97.65 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.653 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -69.48 145.49 58.94 Favored 'Trans proline' 0 C--N 1.31 -1.456 0 C-N-CA 122.648 2.232 . . . . 0.0 112.229 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 943' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -93.22 118.06 67.62 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.656 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -73.07 155.41 52.47 Favored 'Trans proline' 0 C--N 1.313 -1.325 0 C-N-CA 122.63 2.22 . . . . 0.0 112.451 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.98 -177.64 1.71 Allowed 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.978 2.452 . . . . 0.0 112.052 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -112.75 152.4 44.74 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-O 121.049 0.452 . . . . 0.0 110.611 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.37 128.22 24.26 Favored 'Trans proline' 0 C--N 1.3 -1.985 0 C-N-CA 122.911 2.407 . . . . 0.0 112.258 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 948' ' ' PHE . . . . . 0.564 ' CZ ' ' OE1' ' A' ' 87' ' ' GLN . 33.5 p90 -148.62 149.74 32.04 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.682 -0.407 . . . . 0.0 109.913 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -87.92 119.95 28.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.826 0.346 . . . . 0.0 110.495 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -84.59 114.92 22.33 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 951' ' ' ILE . . . . . 0.59 ' O ' ' N ' ' B' ' 953' ' ' ASP . 8.3 tt -128.81 107.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.503 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 952' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 53.9 p-10 -53.03 80.84 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.093 0.473 . . . . 0.0 110.58 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 953' ' ' ASP . . . . . 0.59 ' N ' ' O ' ' B' ' 951' ' ' ILE . 38.1 p30 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.527 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -145.74 66.31 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.337 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -118.79 111.11 18.04 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.101 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.58 -55.03 3.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.877 0.37 . . . . 0.0 110.656 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.536 HG11 HG22 ' A' ' 124' ' ' VAL . 60.5 t -120.67 126.33 75.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.206 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 26' ' ' PHE . 3.2 pp20? -154.66 138.53 16.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.639 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.496 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 61.0 m-85 -160.62 166.45 28.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.202 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' CZ ' ' NH2' ' A' ' 64' ' ' ARG . 99.7 mtt180 -91.37 152.48 20.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.571 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.29 152.84 29.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.401 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.04 138.38 14.92 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' NZ ' ' CE1' ' A' ' 106' ' ' PHE . 37.8 tttm -89.94 163.82 14.81 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.491 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -105.12 142.19 35.34 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.155 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.9 m -76.99 129.95 36.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.08 109.88 18.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -143.46 126.52 16.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 37.22 65.41 0.6 Allowed Glycine 0 N--CA 1.465 0.6 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 p 44.67 63.25 1.75 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.132 0.492 . . . . 0.0 110.008 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 m -149.01 114.25 5.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.291 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.29 114.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.232 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.77 162.41 52.95 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.62 121.37 9.91 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.002 1.801 . . . . 0.0 112.157 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -96.84 145.94 25.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.691 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -76.67 -8.03 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.601 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -73.21 109.35 6.68 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-O 121.377 0.608 . . . . 0.0 110.786 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -83.29 132.99 35.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.815 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.06 152.05 17.97 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.3 tp -114.19 126.1 54.67 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.3 t -98.46 118.57 45.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.687 0.279 . . . . 0.0 111.065 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.13 121.77 36.81 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.239 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 52.7 mt -134.48 135.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.567 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.551 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 3.6 pp0? -144.8 138.82 27.37 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.431 -0.507 . . . . 0.0 110.639 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -107.75 128.73 54.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.694 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.98 164.56 12.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.485 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -71.28 -2.27 15.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.281 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 55' ' ' SER . 52.0 t0 -70.86 -12.32 61.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.577 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 0.9 OUTLIER 85.97 47.38 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.133 0.492 . . . . 0.0 110.053 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.99 155.49 6.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.206 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 mt -115.39 137.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.662 0.744 . . . . 0.0 110.905 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -97.2 123.07 40.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.767 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -105.72 118.14 35.82 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.729 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -124.96 132.02 53.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.557 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.491 ' CH2' ' OD1' ' A' ' 63' ' ' ASP . 37.3 t90 -124.82 110.46 14.33 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 109.884 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -112.79 137.89 50.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.068 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.563 ' O ' ' N ' ' A' ' 67' ' ' GLY . 98.0 m-20 -83.28 124.58 30.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.401 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.431 ' NH2' ' CZ ' ' A' ' 27' ' ' ARG . 78.8 mtp180 -70.28 -36.38 74.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.2 p -62.81 -38.12 89.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.781 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.8 p -103.7 -23.69 13.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.601 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 69.31 15.94 70.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.349 -1.1 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -110.84 142.77 42.43 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 111.098 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -67.9 131.91 32.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.95 -40.52 4.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.881 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -137.94 125.93 22.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.54 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -150.92 108.28 3.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.318 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 73' ' ' LEU . 10.4 tp -154.99 150.11 26.99 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 120.976 0.417 . . . . 0.0 110.025 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.2 mt -72.43 144.05 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.517 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 mm -113.77 122.23 67.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.403 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -98.19 150.27 36.57 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.519 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.43 ' O ' ' OD1' ' A' ' 79' ' ' ASP . 76.3 Cg_exo -48.75 145.55 12.74 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 122.057 1.838 . . . . 0.0 111.944 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 77.72 -16.93 0.61 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.774 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 77' ' ' PRO . 1.8 m-20 -100.07 81.81 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.441 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 79' ' ' ASP . 0.9 OUTLIER 171.05 82.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.267 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -99.53 129.49 45.7 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.065 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -110.22 147.35 33.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.38 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -132.75 144.13 50.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.92 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 47.3 ptt85 -119.63 138.14 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.348 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.21 90.35 23.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.452 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.13 84.01 1.81 Allowed 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.628 2.218 . . . . 0.0 112.281 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -90.13 -40.65 12.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.54 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 17.5 p -162.08 147.08 9.99 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.047 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.33 -13.05 38.19 Favored 'Trans proline' 0 N--CA 1.496 1.663 0 C-N-CA 122.659 2.24 . . . . 0.0 112.168 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.6 t -60.51 -40.36 91.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.39 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -141.62 149.22 20.93 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.68 145.21 51.87 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.02 148.09 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.527 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -114.62 142.72 46.08 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -118.13 126.64 75.1 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.686 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -109.33 129.6 55.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.2 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -115.34 111.22 20.53 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 121.04 0.448 . . . . 0.0 109.973 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.547 ' O ' ' N ' ' A' ' 102' ' ' SER . 94.2 m-85 -91.98 117.17 29.57 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -70.89 -25.23 62.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.34 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.89 -30.16 71.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.585 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -124.54 -2.26 8.19 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.547 ' N ' ' O ' ' A' ' 98' ' ' PHE . 50.9 m 48.07 53.83 11.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.269 . . . . 0.0 110.464 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -128.43 150.84 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.583 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.593 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -110.44 119.37 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 0.0 110.635 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.5 tp -103.82 127.35 51.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.501 ' CE1' ' NZ ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -110.49 115.48 29.71 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.721 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -154.69 164.48 38.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.414 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.503 ' O ' ' N ' ' A' ' 110' ' ' GLN . 6.0 p-90 -142.14 160.55 40.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.543 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.97 63.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.489 0.661 . . . . 0.0 110.463 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 108' ' ' TRP . 21.7 tm0? -62.86 -17.22 61.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.757 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.436 ' HG2' ' H ' ' A' ' 113' ' ' LYS . 76.7 tt0 -56.18 132.92 75.11 Favored Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.085 -179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.68 -16.28 51.89 Favored 'Trans proline' 0 N--CA 1.502 2.015 0 C-N-CA 122.26 1.973 . . . . 0.0 113.123 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.436 ' H ' ' HG2' ' A' ' 111' ' ' GLU . 11.3 mmtm -90.0 97.16 11.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.11 179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.6 p -118.16 33.91 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.914 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -89.56 -15.79 32.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.255 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.74 26.0 4.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.166 0.508 . . . . 0.0 110.416 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -60.83 -40.44 92.82 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.433 -0.507 . . . . 0.0 111.364 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.28 -44.56 91.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.818 0.342 . . . . 0.0 110.634 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.4 tp10 -68.91 -42.34 77.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.688 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.606 ' O ' HG23 ' A' ' 124' ' ' VAL . 7.2 m-70 -66.11 -42.54 89.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 52.9 t -62.94 -48.54 78.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.137 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -66.86 -40.66 87.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.502 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -64.85 -43.65 92.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.684 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 120' ' ' HIS . 66.8 t -65.63 -45.22 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.682 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -63.55 -41.16 98.45 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.425 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.54 ' O ' ' N ' ' A' ' 130' ' ' ASN . 87.7 tt0 -64.61 -42.03 95.8 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.68 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -69.16 -36.33 77.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.962 0.41 . . . . 0.0 110.632 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.31 -43.45 64.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.444 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -108.88 -46.43 3.62 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.434 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 126' ' ' GLU . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.956 -1.021 . . . . 0.0 110.655 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.174 0.512 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 66.64 112.88 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.604 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 942' ' ' PRO . . . . . 0.561 ' O ' ' C ' ' B' ' 943' ' ' GLU . 60.1 Cg_endo -74.83 141.08 26.72 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.939 1.759 . . . . 0.0 111.721 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 943' ' ' GLU . . . . . 0.561 ' C ' ' O ' ' B' ' 942' ' ' PRO . 9.2 mm-40 6.18 73.09 0.05 OUTLIER Pre-proline 0 N--CA 1.474 0.743 0 O-C-N 124.117 0.886 . . . . 0.0 111.283 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.88 142.27 98.25 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.159 1.906 . . . . 0.0 112.597 -177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -71.87 -177.18 2.41 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.528 2.152 . . . . 0.0 111.36 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -128.12 150.38 73.69 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.514 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.08 128.71 30.1 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.909 1.739 . . . . 0.0 112.716 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 948' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' B' ' 948' ' ' PHE . 24.9 p90 -152.24 144.84 24.2 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -85.16 132.7 34.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 0.0 111.114 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -97.47 111.14 23.53 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.344 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 951' ' ' ILE . . . . . 0.55 ' O ' HG23 ' B' ' 951' ' ' ILE . 21.4 tt -132.38 122.57 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.614 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -56.26 81.9 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.43 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 953' ' ' ASP . . . . . 0.545 ' N ' ' O ' ' B' ' 951' ' ' ILE . 53.5 m-20 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.637 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.1 p30 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -65.57 -38.91 90.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.614 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -79.18 122.6 26.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.352 -179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 23' ' ' LEU . 1.9 mm? -102.49 -62.69 1.24 Allowed 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.62 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 80.2 t -125.55 122.5 62.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.258 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 21.8 pt-20 -149.8 129.18 12.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 69.7 m-85 -154.79 167.92 28.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.903 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' H ' ' HD2' ' A' ' 27' ' ' ARG . 2.4 mpt_? -86.34 156.26 20.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.564 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.67 144.63 20.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 110.583 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.16 145.64 16.31 Favored Glycine 0 N--CA 1.466 0.676 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.481 ' CE ' HD11 ' A' ' 105' ' ' LEU . 1.1 mmmp? -92.94 -174.67 3.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.593 0.235 . . . . 0.0 110.534 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 20.5 mtp -127.5 141.97 51.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.603 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.529 ' OG ' ' CE ' ' A' ' 34' ' ' LYS . 8.8 t -78.14 125.06 28.81 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.2 118.44 36.36 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.25 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.529 ' CE ' ' OG ' ' A' ' 32' ' ' SER . 8.1 ptpt -156.4 134.23 11.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.56 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 36.35 57.55 1.13 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 48.85 62.4 2.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.234 0.54 . . . . 0.0 109.844 -177.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.9 m -146.88 121.53 9.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.238 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 t -113.26 116.93 54.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.719 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -139.87 172.14 6.83 Favored Pre-proline 0 N--CA 1.448 -0.537 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.615 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -55.88 127.91 28.07 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.587 2.191 . . . . 0.0 112.246 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -96.3 116.59 29.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.555 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -52.83 -23.88 7.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.422 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.37 129.15 37.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.522 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -110.57 143.81 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.428 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.45 175.53 17.8 Favored Glycine 0 C--N 1.333 0.406 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.9 tt -126.47 125.78 42.67 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.717 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.8 t -98.34 121.59 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.49 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -127.99 123.64 35.27 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.745 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 57' ' ' ILE . 76.6 mt -127.91 138.69 53.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.129 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 3.4 pp0? -150.25 149.27 29.93 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.592 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -95.15 131.92 40.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.713 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -75.51 -153.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.421 179.621 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' H ' HG22 ' A' ' 52' ' ' THR . 97.2 m-20 -99.9 -16.18 18.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -98.37 15.27 25.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.606 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.23 23.41 1.58 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.291 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 57' ' ' ILE . 9.7 mp -100.1 133.18 44.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.651 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 49' ' ' ILE . 1.5 mp -94.98 127.27 47.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.508 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' NE2' ' OD1' ' A' ' 72' ' ' ASP . 7.1 t-160 -98.71 120.97 40.04 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.228 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -101.03 112.46 24.92 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.639 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.9 t -121.39 130.59 53.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.545 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 25.1 t90 -124.04 112.2 16.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.431 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.512 ' HG2' HG12 ' A' ' 69' ' ' VAL . 12.0 mtpt -103.3 160.03 15.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.789 -179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 67' ' ' GLY . 97.7 m-20 -99.09 124.05 43.82 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.532 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -70.67 -29.22 65.48 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.929 0.395 . . . . 0.0 110.421 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.4 p -76.83 -30.04 56.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -106.82 -35.94 6.81 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.693 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 80.98 11.89 83.26 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -111.63 153.45 26.34 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 110.811 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.512 HG12 ' HG2' ' A' ' 62' ' ' LYS . 32.7 m -73.27 122.22 25.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.56 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -98.18 -39.73 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -139.32 128.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.705 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' OD1' ' NE2' ' A' ' 58' ' ' HIS . 14.6 t70 -152.07 112.16 4.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.35 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 tp -147.57 144.73 28.68 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-O 120.879 0.371 . . . . 0.0 110.294 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.5 mt -72.99 141.25 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.688 HG23 ' O ' ' A' ' 79' ' ' ASP . 96.6 mt -120.47 124.69 73.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.628 ' O ' ' N ' ' A' ' 78' ' ' ASP . 55.3 m-85 -89.53 141.7 28.92 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.971 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.51 ' O ' ' CB ' ' A' ' 78' ' ' ASP . 51.4 Cg_exo -45.59 74.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.986 2.457 . . . . 0.0 112.601 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.628 ' N ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER 157.45 -35.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.815 -179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.688 ' O ' HG23 ' A' ' 75' ' ' ILE . 63.5 t0 -82.15 84.19 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.9 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.488 ' O ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER 162.26 102.89 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.719 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -106.17 127.76 53.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.458 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -110.52 140.3 44.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.381 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -138.7 162.36 34.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -117.99 140.51 49.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.411 HG23 ' HB ' ' A' ' 93' ' ' VAL . 0.3 OUTLIER -115.34 90.39 24.62 Favored Pre-proline 0 C--O 1.234 0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.226 179.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -50.63 103.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.609 2.206 . . . . 0.0 112.113 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.796 ' NE2' HG23 ' A' ' 93' ' ' VAL . 0.8 OUTLIER -113.73 -41.41 3.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.678 179.363 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 91' ' ' GLY . 53.8 t -135.06 129.34 18.96 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -48.38 -34.51 25.54 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.575 2.184 . . . . 0.0 112.093 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -102.94 -2.44 27.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.779 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.48 ' O ' ' O ' ' A' ' 88' ' ' CYS . . . -138.81 129.42 4.47 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -131.63 135.11 46.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.788 0.328 . . . . 0.0 110.527 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.796 HG23 ' NE2' ' A' ' 87' ' ' GLN . 11.4 t -96.3 143.86 11.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.799 179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -107.18 141.28 38.72 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.439 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 p -128.2 138.45 54.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.666 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 mt -112.05 130.24 55.94 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.564 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 29.0 mtpt -114.53 117.21 30.29 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' O ' ' N ' ' A' ' 102' ' ' SER . 95.9 m-85 -89.93 117.34 28.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.151 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -64.04 -22.33 66.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.456 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.71 -30.15 56.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.143 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.456 ' C ' ' N ' ' A' ' 103' ' ' LYS . . . -119.56 -1.62 13.53 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.609 ' N ' ' O ' ' A' ' 98' ' ' PHE . 16.9 m 48.45 13.83 0.06 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.701 0.286 . . . . 0.0 110.362 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.456 ' N ' ' C ' ' A' ' 101' ' ' GLY . 6.8 pttt -81.78 158.66 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.4 ' HD2' ' H ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -124.32 111.91 16.36 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.324 0.39 . . . . 0.0 110.346 -179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.481 HD11 ' CE ' ' A' ' 30' ' ' LYS . 58.1 tp -94.1 130.29 40.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.391 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -110.24 127.97 55.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.755 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -154.65 164.03 39.35 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.401 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.546 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 3.7 p-90 -133.77 153.43 51.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.351 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 mmm -69.28 63.03 0.14 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.753 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -9.42 10.93 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.248 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.38 144.8 91.58 Favored Pre-proline 0 N--CA 1.449 -0.504 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.586 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.99 -20.98 50.35 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.853 2.368 . . . . 0.0 112.332 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -92.32 74.53 5.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 114' ' ' THR . 2.2 t -96.5 0.55 50.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.494 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -65.94 -24.66 66.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -114.47 26.57 10.12 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -59.13 -40.84 86.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.594 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -70.5 -46.06 64.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.556 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.53 -39.97 88.89 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.842 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.55 ' O ' HG23 ' A' ' 124' ' ' VAL . 58.3 t-80 -61.9 -48.24 81.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 88.5 m -63.62 -45.18 91.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -64.33 -44.93 90.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -63.15 -43.43 98.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.415 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 120' ' ' HIS . 54.1 t -62.97 -42.88 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.011 178.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -66.64 -37.8 85.56 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.967 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 130' ' ' ASN . 88.4 tt0 -60.59 -46.63 89.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.566 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -66.16 -43.42 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 57' ' ' ILE . 45.0 mt -65.19 -40.34 94.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.11 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -100.53 9.84 42.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.53 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 126' ' ' GLU . 98.5 m-20 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.502 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 941' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 64.12 72.09 0.55 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 0.0 110.552 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 942' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -73.36 171.92 16.69 Favored 'Trans proline' 0 C--N 1.308 -1.584 0 C-N-CA 123.003 2.468 . . . . 0.0 112.04 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 943' ' ' GLU . . . . . 0.438 ' CD ' ' N ' ' B' ' 943' ' ' GLU . 39.2 mp0 -116.58 94.37 43.15 Favored Pre-proline 0 C--O 1.233 0.205 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.303 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 944' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.88 150.23 30.86 Favored 'Trans proline' 0 C--N 1.311 -1.43 0 C-N-CA 122.736 2.29 . . . . 0.0 112.294 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -70.38 -178.57 2.65 Favored 'Trans proline' 0 C--N 1.31 -1.486 0 C-N-CA 122.986 2.457 . . . . 0.0 112.124 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -114.5 149.14 41.71 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.681 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.63 129.36 23.39 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.505 2.137 . . . . 0.0 112.266 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 948' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -150.95 146.82 26.52 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -86.06 130.19 34.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.855 0.36 . . . . 0.0 110.973 -178.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -96.21 107.9 20.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.361 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 951' ' ' ILE . . . . . 0.627 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.9 tt -132.53 120.11 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.24 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 952' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -48.45 81.64 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.139 0.495 . . . . 0.0 110.974 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 953' ' ' ASP . . . . . 0.627 ' N ' ' O ' ' B' ' 951' ' ' ILE . 36.8 p-10 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.931 -1.033 . . . . 0.0 110.483 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -148.68 92.71 2.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.306 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -113.64 118.03 33.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.677 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.5 mt -104.11 -50.02 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.815 0.341 . . . . 0.0 110.313 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.666 HG11 HG22 ' A' ' 124' ' ' VAL . 60.3 t -133.42 127.53 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.992 179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.539 ' O ' ' CD1' ' A' ' 26' ' ' PHE . 26.0 pt-20 -162.91 140.43 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.398 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 25' ' ' GLU . 0.5 OUTLIER 178.95 173.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 179.705 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.5 OUTLIER -80.54 160.39 25.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.476 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -157.72 158.42 35.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.288 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.59 126.73 7.39 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.6 ttpp -93.9 -167.48 1.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.728 0.299 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.673 ' HE2' HG12 ' A' ' 38' ' ' VAL . 80.4 mtp -134.2 143.57 47.94 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.179 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' THR . 49.7 m -76.5 140.51 41.21 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 33' ' ' LEU . 27.6 tp -124.28 109.19 13.06 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.083 -0.339 . . . . 0.0 110.083 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 35' ' ' GLY . 38.2 mtmt -132.29 129.04 39.02 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.989 -179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' LYS . . . 32.17 64.49 0.24 Allowed Glycine 0 N--CA 1.468 0.806 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 50.4 64.75 1.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.202 0.525 . . . . 0.0 109.65 -177.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.0 m -151.31 105.46 3.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.641 178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.673 HG12 ' HE2' ' A' ' 31' ' ' MET . 16.1 t -97.93 117.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.676 -178.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -139.38 167.63 18.16 Favored Pre-proline 0 N--CA 1.451 -0.422 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.288 179.732 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.01 131.25 43.55 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.823 1.682 . . . . 0.0 112.739 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -92.67 114.9 27.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.301 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.67 -20.0 64.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.573 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 ttm-85 -88.77 121.74 31.46 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.423 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -85.34 150.66 24.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.415 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -120.97 171.38 14.8 Favored Glycine 0 C--N 1.33 0.229 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 tp -116.32 116.83 28.45 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 74.4 t -94.36 118.73 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.42 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 25' ' ' GLU . 2.5 m-85 -125.56 122.48 36.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.341 178.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.45 HG23 HG23 ' A' ' 57' ' ' ILE . 57.9 mt -130.78 132.5 64.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.06 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 3.9 pp0? -142.24 149.26 39.37 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.463 179.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.0 tm0? -105.7 131.26 53.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.631 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -105.41 153.98 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.136 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -62.98 -10.92 15.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.427 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -73.88 1.36 10.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.633 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 m 71.82 48.92 0.28 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.65 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 pp -160.92 142.59 12.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.03 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.45 HG23 HG23 ' A' ' 49' ' ' ILE . 1.7 mp -98.69 134.12 38.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.606 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -98.29 123.09 42.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.882 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -104.56 118.18 35.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.299 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -122.33 127.82 50.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -118.69 110.3 17.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.703 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -109.75 154.33 23.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.36 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' SER . 3.8 m-20 -88.94 89.77 8.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.737 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.2 ttt85 -38.97 -29.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.634 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 63' ' ' ASP . 100.0 m -61.02 -44.79 96.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.124 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ASP . 92.2 p -108.82 -16.03 14.26 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . 71.54 13.76 74.55 Favored Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -98.46 156.45 16.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.87 0.367 . . . . 0.0 111.204 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 69' ' ' VAL . 6.3 m -80.05 125.5 38.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.727 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -106.03 -34.66 7.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.763 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -151.36 132.3 14.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 42.0 p-10 -151.12 122.62 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -149.08 141.03 23.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.925 0.393 . . . . 0.0 110.065 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -74.87 137.73 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.627 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.1 mt -120.61 122.74 68.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.942 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -98.38 167.39 11.6 Favored Pre-proline 0 C--N 1.326 -0.455 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.549 179.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 79' ' ' ASP . 44.9 Cg_exo -57.76 144.22 93.79 Favored 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.174 1.916 . . . . 0.0 112.07 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 1.3 t0 75.6 -25.68 0.2 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.751 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.463 ' H ' ' C ' ' A' ' 77' ' ' PRO . 63.1 t0 -89.09 69.6 8.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.517 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 170.92 105.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.757 0.313 . . . . 0.0 110.602 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.43 117.23 30.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.701 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.519 ' CD1' ' O ' ' A' ' 82' ' ' PHE . 54.2 p90 -102.93 121.56 42.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.197 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.37 162.85 40.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.393 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -117.73 147.38 43.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.269 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.662 ' O ' HG13 ' A' ' 85' ' ' VAL . 11.8 p -107.71 107.38 60.25 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -75.85 125.84 9.02 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 121.878 1.718 . . . . 0.0 112.455 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.539 ' OE1' ' CD2' ' B' ' 948' ' ' PHE . 57.0 mt-30 -112.08 -31.74 6.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.235 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.445 ' SG ' ' O ' ' A' ' 90' ' ' SER . 0.1 OUTLIER -150.45 168.68 10.53 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.484 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -51.88 -41.53 62.66 Favored 'Trans proline' 0 N--CA 1.502 2.017 0 C-N-CA 122.337 2.025 . . . . 0.0 112.553 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.445 ' O ' ' SG ' ' A' ' 88' ' ' CYS . 90.3 p -107.58 172.93 6.55 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.746 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 96.9 152.25 28.64 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -130.24 132.81 46.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.4 . . . . 0.0 110.629 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.47 140.5 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.524 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -117.35 139.44 50.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.398 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.49 124.59 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.554 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.5 mt -108.0 130.44 55.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.726 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -110.57 113.14 25.53 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.519 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' A' ' 102' ' ' SER . 96.6 m-85 -88.64 107.75 19.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.73 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -66.25 -21.68 66.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.856 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.25 70.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -144.59 13.28 2.0 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.589 ' N ' ' O ' ' A' ' 98' ' ' PHE . 62.4 m 48.31 45.89 20.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.827 0.346 . . . . 0.0 110.442 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -97.37 141.81 30.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.567 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -114.5 126.06 54.51 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.216 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -123.39 140.4 53.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.078 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 106' ' ' PHE . 0.1 OUTLIER -120.53 122.82 41.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.537 -179.56 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -154.27 163.89 39.43 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.241 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.561 ' N ' ' CD1' ' A' ' 108' ' ' TRP . 4.1 p-90 -143.23 156.68 44.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.019 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.548 ' C ' ' H ' ' A' ' 111' ' ' GLU . 0.0 OUTLIER -67.91 64.11 0.09 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.883 -179.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.47 ' CD ' ' CH2' ' A' ' 108' ' ' TRP . 40.5 tt0 -64.34 8.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.957 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 109' ' ' MET . 88.1 tt0 -102.97 103.51 34.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.193 179.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.01 -20.5 16.77 Favored 'Trans proline' 0 N--CA 1.499 1.835 0 C-N-CA 122.046 1.831 . . . . 0.0 112.631 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -62.1 -23.84 66.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.227 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . 0.707 HG22 ' H ' ' A' ' 116' ' ' GLN . 98.1 m -59.62 -42.11 91.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.818 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.1 t0 51.49 0.71 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.281 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.707 ' H ' HG22 ' A' ' 114' ' ' THR . 73.6 mt-30 -133.2 30.95 3.87 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.824 0.345 . . . . 0.0 110.421 -178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 117' ' ' ASP . 63.6 t0 -55.12 -38.88 68.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.073 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -62.52 -45.73 91.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.285 0.564 . . . . 0.0 110.58 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -73.1 -33.68 65.72 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.442 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -60.58 -46.15 91.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.739 -178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' CYS . . . . . 0.411 ' O ' ' OD1' ' A' ' 125' ' ' ASN . 48.6 t -63.12 -45.81 90.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.954 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -61.76 -40.6 95.72 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.262 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -67.61 -43.77 79.64 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.002 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.666 HG22 HG11 ' A' ' 24' ' ' VAL . 53.1 t -64.18 -40.68 89.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 C-N-CA 119.999 -0.68 . . . . 0.0 109.959 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 121' ' ' CYS . 28.3 m120 -62.34 -42.04 99.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.704 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -34.51 75.39 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -65.67 -48.54 71.76 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.681 -0.408 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.93 -37.29 81.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.711 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -86.2 -2.11 58.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.315 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.672 179.845 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 940' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 941' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' B' ' 942' ' ' PRO . 2.2 mt-10 -62.64 -50.62 77.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.186 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 942' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' B' ' 941' ' ' GLU . 59.7 Cg_endo -74.74 157.16 44.05 Favored 'Trans proline' 0 N--CA 1.488 1.148 0 C-N-CA 122.384 2.056 . . . . 0.0 111.737 -179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 943' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' B' ' 944' ' ' PRO . 0.2 OUTLIER -131.51 145.3 57.0 Favored Pre-proline 0 C--N 1.329 -0.29 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.35 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 944' ' ' PRO . . . . . 0.468 ' O ' ' OE1' ' B' ' 943' ' ' GLU . 55.2 Cg_endo -71.31 146.8 51.69 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.956 1.771 . . . . 0.0 112.951 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 945' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -72.27 -177.19 2.54 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.564 2.176 . . . . 0.0 111.914 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 946' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -118.46 148.62 44.41 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.315 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 947' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -50.0 129.07 23.77 Favored 'Trans proline' 0 N--CA 1.499 1.817 0 C-N-CA 121.861 1.707 . . . . 0.0 112.727 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 948' ' ' PHE . . . . . 0.539 ' CD2' ' OE1' ' A' ' 87' ' ' GLN . 29.3 p90 -153.36 143.6 22.32 Favored 'General case' 0 C--N 1.342 0.241 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 177.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 949' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -87.45 132.15 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.76 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 950' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -95.02 108.97 21.05 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.468 0.651 . . . . 0.0 109.941 178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 951' ' ' ILE . . . . . 0.567 ' O ' ' N ' ' B' ' 953' ' ' ASP . 18.5 tt -128.95 126.27 64.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.714 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 952' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' B' ' 952' ' ' ASP . 6.4 t70 -55.17 81.06 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.435 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 953' ' ' ASP . . . . . 0.567 ' N ' ' O ' ' B' ' 951' ' ' ILE . 45.7 p-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.085 -0.959 . . . . 0.0 110.794 179.575 . . . . . . . . 1 1 . 1 stop_ save_