data_1guw_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 1guw _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.617 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.1 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.28 69.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.249 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.617 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 6.2 m-85 -61.44 138.42 58.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.688 0.28 . . . . 0.0 110.507 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.423 HG13 ' NZ ' ' A' ' 43' ' ' LYS . 45.0 t -55.81 134.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' B' ' 7' ' ' ALA . 58.3 t -117.33 131.38 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -76.79 -53.94 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp 177.87 142.64 0.1 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG1' HD22 ' A' ' 40' ' ' LEU . 2.4 m -65.81 129.7 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 5.6 mp -78.46 -42.71 29.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.792 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' HB2' ' CH2' ' A' ' 52' ' ' TRP . 55.2 m-20 -153.67 -146.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.994 0.426 . . . . 0.0 112.104 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.9 ttp85 -168.44 131.85 1.51 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.561 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.3 ptt180 -155.48 136.61 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.96 0.409 . . . . 0.0 111.434 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -106.66 143.56 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.714 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.658 HG23 ' HG3' ' A' ' 33' ' ' LYS . 3.7 p -151.2 134.29 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.228 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.658 ' HG3' HG23 ' A' ' 32' ' ' VAL . 52.9 mttm 76.05 -37.15 0.3 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.66 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 144.92 -11.65 1.88 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.689 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 18.7 ptmt -79.74 -157.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.049 0.452 . . . . 0.0 111.244 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.66 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 46.3 t -148.7 138.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.6 130.61 11.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 111.528 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -115.18 130.05 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.083 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 9.8 tp -62.24 139.81 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 HD22 ' CG1' ' A' ' 26' ' ' VAL . 93.4 mt -143.88 130.55 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -83.57 123.42 29.75 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.25 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -101.12 131.75 46.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.56 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 5.0 ttmp? -66.2 144.92 56.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.527 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.19 -49.19 3.73 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.781 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.09 139.54 44.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -54.49 144.14 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -55.26 -31.4 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -58.21 -30.1 66.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.42 41.66 0.25 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.714 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.407 ' HA ' HD21 ' A' ' 50' ' ' ASN . 4.9 m120 -70.52 143.09 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 111.218 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.452 ' O ' HG21 ' A' ' 51' ' ' THR . 7.0 t -158.31 121.16 3.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.204 0.526 . . . . 0.0 110.887 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.539 ' CZ2' HD21 ' A' ' 39' ' ' LEU . 10.7 m95 -77.34 112.3 13.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.483 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.612 ' HB2' HD22 ' A' ' 58' ' ' LEU . 50.2 mm-40 -95.25 146.11 30.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.469 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.66 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.5 Cg_endo -57.14 135.1 68.5 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.452 2.101 . . . . 0.0 111.862 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.37 -42.55 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.562 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 11.7 pt-20 -55.03 -43.42 73.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.512 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m120 -66.08 -37.67 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 53' ' ' GLU . 15.1 mt -57.53 129.01 39.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -110.9 50.0 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.745 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HG ' ' HB1' ' B' ' 7' ' ' ALA . 25.7 p -152.4 62.32 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.018 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.07 -33.13 82.5 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.609 2.206 . . . . 0.0 112.144 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 55.8 mt -63.71 -42.95 97.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.499 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.5 mm -55.03 -54.9 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -54.9 -36.55 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.578 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 9.8 tm-20 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.3 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.9 t80 -70.61 -52.39 21.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.092 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 68' ' ' LEU . 2.1 mm? -73.07 -17.85 61.38 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 111.417 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 52.4 tt0 -58.93 -37.61 77.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.446 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 p -80.19 -45.02 18.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.933 0.397 . . . . 0.0 111.295 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.317 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.554 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mp0 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.999 0.428 . . . . 0.0 111.763 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.4 p -150.04 144.14 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.466 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -136.77 127.81 27.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' B' ' 8' ' ' ARG . 69.7 mtt-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.325 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' B' ' 8' ' ' ARG . 67.8 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.761 0.315 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 56.6 mp0 -80.29 135.65 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -125.43 139.05 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.491 ' HA ' HG21 ' B' ' 6' ' ' THR . 39.1 t -59.08 143.81 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.516 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.75 HG22 ' HB3' ' A' ' 40' ' ' LEU . 6.4 p -143.13 133.14 21.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.059 0.457 . . . . 0.0 111.296 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -78.33 -54.23 6.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.141 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 87.1 tttt -172.62 146.04 1.63 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.676 0.274 . . . . 0.0 111.437 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.638 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 20.4 m -68.22 137.14 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 111.704 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.586 HD11 ' HG ' ' A' ' 39' ' ' LEU . 5.5 mp -83.52 -23.76 31.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.843 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.3 t70 179.95 -149.35 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.832 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.53 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.7 ptt180 -168.67 142.37 3.06 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.5 ptm180 -155.11 128.87 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.024 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 23.0 t -78.13 142.26 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.299 0.571 . . . . 0.0 111.742 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.553 HG23 ' OE1' ' A' ' 37' ' ' GLU . 34.9 m -147.07 135.39 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.016 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.489 ' NZ ' ' HD2' ' A' ' 35' ' ' LYS . 22.5 pttp 44.28 37.62 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.857 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.99 -32.42 4.34 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.826 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.489 ' HD2' ' NZ ' ' A' ' 33' ' ' LYS . 63.6 mttp -90.47 131.06 36.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 112.0 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 12.1 p -81.58 140.87 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.435 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.553 ' OE1' HG23 ' A' ' 32' ' ' VAL . 12.7 pt-20 -128.82 127.63 42.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.454 ' HB3' HG13 ' A' ' 26' ' ' VAL . 7.8 m-85 -100.21 143.89 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.723 HD11 ' H ' ' A' ' 40' ' ' LEU . 8.3 tp -82.94 142.64 31.26 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.75 ' HB3' HG22 ' A' ' 23' ' ' VAL . 6.5 mp -134.34 131.64 38.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -77.11 74.49 3.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.687 ' HH2' ' HB1' ' B' ' 7' ' ' ALA . 67.4 m95 -56.09 124.52 18.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 0.0 111.529 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -65.16 141.62 58.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.554 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.73 -43.06 2.33 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.282 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.431 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 1.5 m-85 -69.19 138.17 53.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -56.82 152.97 11.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -51.95 -45.33 64.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.716 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.37 -34.25 77.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.431 ' OD1' ' HD2' ' A' ' 45' ' ' PHE . 9.8 t70 -62.0 -25.72 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.401 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.657 ' HB3' HD13 ' A' ' 39' ' ' LEU . 77.1 m-20 -42.83 136.06 2.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.959 0.409 . . . . 0.0 110.723 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.3 m -131.29 146.85 52.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.892 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.551 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.4 m95 -89.77 122.78 33.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.488 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.641 ' HB2' HD22 ' A' ' 58' ' ' LEU . 11.7 mp0 -106.96 151.75 40.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.959 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 36.1 Cg_exo -56.88 133.04 55.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.163 1.908 . . . . 0.0 111.428 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.009 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.58 -44.2 87.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.423 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 4.1 m120 -64.06 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.751 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 53' ' ' GLU . 11.9 mt -54.37 128.77 33.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.061 0.457 . . . . 0.0 111.961 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' B' ' 6' ' ' THR . 62.9 t0 -107.54 44.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.746 ' HB2' HD11 ' A' ' 63' ' ' LEU . 26.2 p -149.43 61.62 5.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.838 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.97 -29.16 26.39 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 36.6 t70 -57.06 -45.89 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.557 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.746 HD11 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -67.16 -46.78 72.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.712 0.291 . . . . 0.0 111.228 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 68' ' ' LEU . 69.4 mt -55.12 -39.99 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.991 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.97 79.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 69.5 mm-40 -60.55 -42.23 96.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.264 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.584 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 37.8 t80 -56.4 -53.66 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.649 ' N ' HD11 ' A' ' 68' ' ' LEU . 4.5 mp -67.44 -37.64 83.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.216 0.531 . . . . 0.0 109.976 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -55.36 -37.43 67.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.661 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.3 m -66.22 -46.4 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.045 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.35 -178.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.508 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.025 0.44 . . . . 0.0 111.928 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.491 HG21 ' HA ' ' A' ' 22' ' ' VAL . 25.0 p -158.13 152.05 23.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.395 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.687 ' HB1' ' HH2' ' A' ' 42' ' ' TRP . . . -147.28 131.6 17.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 52.5 mtm-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.747 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 121.051 0.453 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HB3' ' HG1' ' B' ' 6' ' ' THR . 50.3 mt-10 -74.82 66.34 1.5 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.285 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -62.7 139.28 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.562 HG11 ' N ' ' A' ' 23' ' ' VAL . 84.4 t -58.33 143.67 12.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.566 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.562 ' N ' HG11 ' A' ' 22' ' ' VAL . 60.0 t -135.74 125.31 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.254 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -78.74 -47.61 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.866 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.633 ' HA ' HD12 ' A' ' 63' ' ' LEU . 52.2 tptt -175.47 138.38 0.4 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.369 0.604 . . . . 0.0 111.744 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.489 ' H ' ' HD2' ' A' ' 25' ' ' LYS . 1.3 t -59.83 131.46 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.6 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 91.8 mt -88.83 -37.84 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 29.7 t0 -175.76 -157.89 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.646 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.512 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 37.8 ptt180 -169.14 144.73 3.27 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.6 ptt180 -155.02 129.72 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.62 135.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.051 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.5 t -88.84 -42.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -170.62 -15.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.012 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.36 -36.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.629 ' C ' HG21 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -88.49 -159.96 0.6 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.629 HG21 ' C ' ' A' ' 35' ' ' LYS . 1.8 t -150.12 109.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.66 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.1 pt-20 -88.82 126.06 35.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.505 ' HE1' ' HB ' ' A' ' 36' ' ' VAL . 8.5 m-85 -106.47 129.99 54.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.439 . . . . 0.0 111.778 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 26.1 tp -72.15 145.76 47.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.449 HD13 ' OE2' ' A' ' 53' ' ' GLU . 82.2 mt -144.07 132.65 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.226 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.527 ' HE2' HD12 ' A' ' 27' ' ' LEU . 17.3 tppt? -83.06 66.55 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.097 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 42.2 m95 -47.54 132.92 13.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.44 140.72 58.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.38 -38.15 2.05 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.85 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.9 m-85 -72.0 132.76 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.216 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.5 ' HB3' ' OD1' ' A' ' 49' ' ' ASP . 47.3 t -65.98 162.9 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.781 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.46 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 63.7 t0 -50.95 -42.35 59.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.39 -36.55 84.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.5 ' OD1' ' HB3' ' A' ' 46' ' ' SER . 1.3 m-20 -59.48 -29.31 67.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.793 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.516 ' HB3' HD13 ' A' ' 39' ' ' LEU . 85.2 m-20 -47.52 145.77 2.43 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.91 0.386 . . . . 0.0 111.197 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 t -154.03 146.77 24.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.543 ' HB2' ' OE1' ' A' ' 37' ' ' GLU . 5.2 m95 -88.77 144.9 25.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.229 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.549 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 4.3 pm0 -151.27 151.61 29.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.297 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HG2' HD21 ' A' ' 57' ' ' ASN . 6.7 Cg_endo -48.09 135.47 24.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.062 2.508 . . . . 0.0 112.545 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -59.37 -33.61 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.447 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.78 -51.73 9.14 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.365 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.617 ' HB3' ' HB2' ' B' ' 8' ' ' ARG . 75.8 m-80 -67.87 -38.46 83.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' B' ' 7' ' ' ALA . 12.1 mt -58.73 126.66 28.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.875 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.95 46.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.597 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.549 ' O ' HG13 ' A' ' 64' ' ' ILE . 26.7 p -122.8 56.78 8.95 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.794 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.69 -36.45 91.9 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.144 1.896 . . . . 0.0 111.812 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.29 -48.0 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.391 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 25' ' ' LYS . 21.4 mt -66.7 -41.95 87.21 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.873 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 60' ' ' CYS . 82.1 mt -55.53 -41.73 65.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 110.066 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.564 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -62.83 -46.09 89.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.226 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.489 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 95.3 mt-10 -60.66 -37.59 82.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.54 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -62.27 -48.97 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.303 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 60.4 mt -64.46 -34.61 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.776 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 74.7 mt-30 -51.36 -35.37 38.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.286 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.2 t -55.73 -52.54 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.642 179.802 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.562 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 4.0 tp-100 . . . . . 0 N--CA 1.457 -0.096 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.467 ' HG1' ' HB3' ' A' ' 20' ' ' GLU . 69.2 p -132.68 154.55 50.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.665 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -162.06 132.31 4.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.69 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.617 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.332 -0.176 0 CA-C-O 120.713 0.292 . . . . 0.0 110.947 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.826 0.346 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.503 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 94.2 mt-10 -79.7 136.34 36.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -122.82 136.96 55.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.561 ' HB ' ' HD2' ' A' ' 43' ' ' LYS . 38.3 t -55.23 140.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.764 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' B' ' 7' ' ' ALA . 58.9 t -139.88 129.09 28.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.487 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 89.1 tt0 -82.95 -58.81 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.587 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 5.0 mmmp? -159.39 139.55 11.97 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.264 0.555 . . . . 0.0 111.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.41 ' CG2' HD22 ' A' ' 40' ' ' LEU . 1.2 t -60.43 128.67 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.917 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' A' ' 41' ' ' LYS . 86.2 mt -84.64 -39.11 19.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.025 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.471 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 45.4 m-20 -161.3 -153.06 0.28 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.361 0.6 . . . . 0.0 112.54 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.641 HH11 HD23 ' A' ' 68' ' ' LEU . 68.6 ttt180 -168.44 134.58 1.87 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.018 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.526 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 8.9 ptp180 -154.77 142.23 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 111.859 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG23 HG23 ' A' ' 36' ' ' VAL . 13.3 t -114.12 137.81 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.974 177.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.5 p -161.94 132.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.167 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 32' ' ' VAL . 24.4 ttmm 71.64 20.77 4.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.321 0.582 . . . . 0.0 109.463 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.26 -19.43 13.45 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.026 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.622 ' HZ3' ' HB2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -87.12 155.34 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.068 0.461 . . . . 0.0 110.98 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 22.0 t -108.14 141.24 23.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.049 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -148.61 132.61 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.04 0.448 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.514 ' HE1' HG13 ' A' ' 36' ' ' VAL . 15.3 m-85 -111.75 135.47 52.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.709 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 50' ' ' ASN . 29.6 tp -74.52 147.54 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 HD22 ' CG2' ' A' ' 26' ' ' VAL . 90.7 mt -142.7 135.47 28.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 23.4 tptm -84.3 69.19 10.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.225 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.677 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 27.2 m95 -51.35 137.96 22.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.261 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.561 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -59.22 135.14 57.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.364 -179.412 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.76 -34.07 1.42 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.712 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.677 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.3 m-85 -72.35 128.49 35.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 111.369 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -78.52 -166.02 0.8 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.616 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 1.5 m-20 -61.33 -50.32 73.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.27 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.89 -42.14 99.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 1.3 m-20 -60.43 -33.77 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.793 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.616 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 82.0 m-20 -51.24 145.29 8.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.958 0.409 . . . . 0.0 111.31 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.505 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 7.8 t -145.52 131.36 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.763 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.526 ' CE3' ' HG2' ' A' ' 30' ' ' ARG . 9.4 m95 -72.52 126.47 29.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.477 ' HG2' ' HZ2' ' A' ' 42' ' ' TRP . 67.3 mm-40 -106.16 143.25 26.55 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.31 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.606 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 35.8 Cg_exo -58.42 142.92 98.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.328 2.019 . . . . 0.0 111.859 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' HD13 ' A' ' 58' ' ' LEU . 88.3 tt0 -49.24 -38.21 25.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.622 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -73.95 -44.14 55.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -59.54 -60.62 3.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 54' ' ' PRO . 2.4 pp -57.14 144.75 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.042 0.449 . . . . 0.0 111.81 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.719 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 39.0 t70 -114.49 53.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.529 ' O ' HG13 ' A' ' 64' ' ' ILE . 62.7 m -128.11 58.24 32.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 31.9 Cg_exo -58.34 -42.62 54.05 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.393 2.062 . . . . 0.0 112.39 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.579 ' H ' HE22 ' B' ' 5' ' ' GLN . 1.3 m-20 -60.09 -43.6 95.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.405 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.468 HD23 ' HD2' ' A' ' 25' ' ' LYS . 48.0 mt -68.4 -40.31 81.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.599 HD13 HD12 ' A' ' 58' ' ' LEU . 92.1 mt -57.56 -46.92 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.57 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.97 -42.66 84.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.276 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.572 ' OE1' ' HE2' ' A' ' 25' ' ' LYS . 39.8 tt0 -60.41 -36.41 78.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.2 t80 -64.63 -49.45 71.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.053 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.641 HD23 HH11 ' A' ' 29' ' ' ARG . 68.2 mt -61.51 -33.74 74.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.463 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 87.1 mt-30 -52.7 -39.26 61.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.3 m -64.84 -36.01 82.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.619 -179.846 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.579 HE22 ' H ' ' A' ' 62' ' ' ASP . 81.4 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.695 0.283 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.614 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 67.2 p -104.72 124.23 49.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.719 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -97.28 135.71 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.903 0.382 . . . . 0.0 110.738 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.604 -179.442 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.2 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.701 0.286 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -76.62 130.22 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.459 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 4.7 m-85 -116.18 140.55 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.803 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.457 HG22 ' NZ ' ' A' ' 43' ' ' LYS . 57.0 t -57.43 135.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.32 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.652 HG12 ' HB3' ' A' ' 40' ' ' LEU . 65.6 t -118.33 133.48 65.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 38.3 tt0 -77.2 -53.78 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' HD13 ' A' ' 27' ' ' LEU . 38.9 ttpt -178.29 135.89 0.16 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.232 0.539 . . . . 0.0 111.214 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.12 132.61 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.106 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.647 HD11 ' HG ' ' A' ' 39' ' ' LEU . 4.9 mp -91.79 -37.42 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.93 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.7 t70 179.56 159.84 0.74 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.475 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 8.0 ptm180 -96.89 162.46 13.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 74.1 ttt180 -153.68 162.06 41.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.798 0.333 . . . . 0.0 111.591 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 30' ' ' ARG . 73.4 t -147.56 139.03 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.404 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG21 ' N ' ' A' ' 33' ' ' LYS . 27.3 m -105.51 -42.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' N ' HG21 ' A' ' 32' ' ' VAL . 24.2 pttm -167.9 48.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.452 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.72 -33.87 5.28 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.71 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -70.86 -155.78 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.296 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 55' ' ' GLU . 11.0 p -171.78 130.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.58 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.54 ' HG3' ' HB3' ' A' ' 30' ' ' ARG . 13.9 pt-20 -130.32 126.42 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.192 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.48 ' O ' HD23 ' A' ' 40' ' ' LEU . 41.9 m-85 -100.05 148.65 24.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.663 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.786 HD11 ' H ' ' A' ' 40' ' ' LEU . 8.9 tp -90.62 140.77 29.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.786 ' H ' HD11 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -131.92 136.09 47.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.37 -179.417 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 2.9 tmtp? -85.51 70.63 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.68 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 40.7 m95 -49.53 136.2 17.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.658 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' NZ ' HG22 ' A' ' 22' ' ' VAL . 64.7 pttt -69.18 150.84 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.45 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.43 -40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.987 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.64 ' HD2' ' HB3' ' A' ' 49' ' ' ASP . 17.5 m-85 -77.09 -140.1 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.41 -0.116 . . . . 0.0 110.979 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.412 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 80.6 p -165.16 -166.02 0.96 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.604 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.1 m-20 -65.67 -46.91 77.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.674 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.1 pt-20 -68.51 -36.84 79.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.278 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.64 ' HB3' ' HD2' ' A' ' 45' ' ' PHE . 1.4 m-20 -71.45 -38.69 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.68 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 20.4 p30 -51.15 147.96 4.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 111.876 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.479 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 8.4 t -138.2 152.97 49.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.469 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.516 ' CZ3' ' HB2' ' A' ' 30' ' ' ARG . 6.5 m95 -86.75 128.71 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.433 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' B' ' 8' ' ' ARG . 15.2 mp0 -110.54 142.47 26.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.6 Cg_exo -61.58 147.09 96.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.492 2.128 . . . . 0.0 111.487 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.566 ' HB2' HG12 ' A' ' 36' ' ' VAL . 41.7 tt0 -48.9 -36.47 17.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.218 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.26 -43.5 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.552 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -62.7 -54.35 40.57 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.504 HD11 ' C ' ' A' ' 58' ' ' LEU . 3.3 pp -62.65 -167.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.908 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -172.07 56.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.226 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' HG13 ' A' ' 64' ' ' ILE . 26.0 p -135.73 58.37 23.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.134 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 51.4 Cg_exo -54.3 -38.62 88.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.598 2.198 . . . . 0.0 112.449 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.499 ' H ' ' NE2' ' B' ' 5' ' ' GLN . 1.5 m-20 -58.29 -46.61 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.03 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HG ' ' HG3' ' B' ' 5' ' ' GLN . 25.9 mt -67.23 -41.53 85.53 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.903 0.382 . . . . 0.0 110.153 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 60' ' ' CYS . 81.9 mt -56.66 -40.54 70.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.169 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -67.94 -44.09 77.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.7 mt-10 -57.89 -35.55 71.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.459 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 28' ' ' ASP . 31.7 t80 -60.85 -49.93 75.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.155 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.77 -39.94 94.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 26.5 mt-30 -54.99 -39.37 68.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.401 . . . . 0.0 110.713 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.2 m -58.37 -44.62 88.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.86 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.576 -179.229 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.528 ' HG3' ' HG ' ' A' ' 63' ' ' LEU . 8.5 mm100 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.151 0.5 . . . . 0.0 112.234 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.507 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 42.3 p -153.19 119.61 5.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.892 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.37 127.54 47.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.886 0.374 . . . . 0.0 110.67 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 41.1 mtt85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.121 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.487 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 96.1 mt-10 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB3' ' HG1' ' B' ' 6' ' ' THR . 41.7 mt-10 -77.95 134.59 37.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.487 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 10.2 m-85 -127.05 136.94 52.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.836 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' B' ' 6' ' ' THR . 61.9 t -57.77 138.37 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.72 HG12 ' HB3' ' A' ' 40' ' ' LEU . 25.5 t -133.08 135.72 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.59 -54.91 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.002 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.784 ' HA ' HD21 ' A' ' 63' ' ' LEU . 38.1 ttpt -177.24 142.78 0.36 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.143 0.496 . . . . 0.0 112.171 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -64.17 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.2 mm? -94.36 -43.12 8.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.543 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.2 m-20 -157.59 -148.73 0.21 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 64.7 ttt180 -167.99 131.54 1.63 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.905 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.475 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 41.2 ptt180 -155.98 139.74 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -102.51 128.51 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.735 HG22 ' HG2' ' A' ' 33' ' ' LYS . 35.8 m -93.64 -40.64 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 111.698 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.735 ' HG2' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -171.52 55.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.739 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.95 26.46 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.435 ' HB2' HG21 ' A' ' 32' ' ' VAL . 30.0 mmmt -67.11 155.14 39.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.628 HG11 ' HE1' ' A' ' 38' ' ' TYR . 14.8 t -128.1 61.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 24.5 pt-20 -87.78 129.44 35.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.232 0.539 . . . . 0.0 112.027 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.628 ' HE1' HG11 ' A' ' 36' ' ' VAL . 6.5 m-85 -105.04 151.93 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.545 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 14.4 tp -85.05 139.87 31.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.72 ' HB3' HG12 ' A' ' 23' ' ' VAL . 5.3 mp -150.88 134.57 16.47 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.591 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -81.48 124.86 29.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.57 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 18.1 m95 -99.57 136.15 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.555 . . . . 0.0 112.395 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.56 151.02 48.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.461 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 -52.4 4.45 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.666 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.01 -121.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.24 . . . . 0.0 110.76 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.2 p -156.91 149.55 23.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.707 0.289 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.591 ' HA ' ' HG2' ' A' ' 41' ' ' LYS . 19.1 m-20 -47.87 -48.13 31.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.59 -39.73 74.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.504 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.83 36.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.477 ' CG ' HD13 ' A' ' 39' ' ' LEU . 23.3 p30 -84.1 141.14 31.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.669 0.271 . . . . 0.0 110.607 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.509 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.4 t -132.06 132.91 43.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.342 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.525 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 8.8 m95 -72.73 124.77 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 4.1 mm-40 -112.08 144.07 30.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HG2' ' CG ' ' A' ' 57' ' ' ASN . 9.4 Cg_endo -53.05 137.66 62.39 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.561 2.174 . . . . 0.0 112.015 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 15.7 tp10 -55.13 -40.08 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -55.19 -42.79 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.415 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 4.5 m120 -69.11 -39.26 79.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.494 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.848 HD21 ' HB2' ' B' ' 7' ' ' ALA . 12.5 mt -53.17 135.49 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.514 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.642 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 34.1 t70 -130.48 47.29 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.8 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.621 ' SG ' HD13 ' A' ' 63' ' ' LEU . 21.9 p -149.08 64.28 7.34 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.061 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.467 ' HA ' HD11 ' A' ' 64' ' ' ILE . 75.2 Cg_exo -49.66 -23.42 8.09 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.61 2.207 . . . . 0.0 111.979 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.6 m-20 -55.81 -46.35 78.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.058 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 25' ' ' LYS . 40.1 mt -64.52 -44.3 91.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.961 0.41 . . . . 0.0 110.084 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.506 ' O ' HD11 ' A' ' 68' ' ' LEU . 71.6 mt -54.79 -43.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.28 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.589 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.97 -42.19 90.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.757 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.673 ' HA ' HE21 ' A' ' 69' ' ' GLN . 55.4 mt-10 -57.42 -38.61 74.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.709 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.582 ' HB2' HG13 ' A' ' 26' ' ' VAL . 29.7 t80 -62.49 -58.9 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.656 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.702 HD11 ' H ' ' A' ' 68' ' ' LEU . 6.4 mp -63.08 -19.66 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.673 HE21 ' HA ' ' A' ' 66' ' ' GLU . 66.8 mt-30 -48.95 -38.77 23.98 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.164 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -72.46 -37.89 68.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.005 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.224 179.798 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.442 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 3.1 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.692 0.282 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.556 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 69.2 p -153.14 126.33 8.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.348 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.848 ' HB2' HD21 ' A' ' 58' ' ' LEU . . . -109.61 125.3 52.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.427 -179.296 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.416 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 41.2 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.758 0.313 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.509 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 96.7 mt-10 -77.43 131.0 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.416 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 4.0 m-85 -116.48 134.03 55.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.89 135.24 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.744 HG12 ' HB3' ' A' ' 40' ' ' LEU . 49.0 t -121.56 132.08 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.82 -51.45 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.354 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -178.83 137.62 0.15 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.984 0.421 . . . . 0.0 111.702 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -58.87 143.49 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.141 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.681 HD22 ' HG ' ' A' ' 39' ' ' LEU . 2.6 mm? -107.52 -40.12 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.471 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.3 m-20 -156.56 -150.78 0.3 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 44.5 ttt-85 -165.22 137.12 4.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.352 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -155.87 138.88 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.94 138.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.206 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.511 HG22 ' HG2' ' A' ' 33' ' ' LYS . 28.1 m -101.34 -41.59 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.976 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HG2' HG22 ' A' ' 32' ' ' VAL . 21.7 pttp -167.66 56.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.46 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.36 13.86 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -89.93 133.81 34.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.97 0.414 . . . . 0.0 110.617 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.471 HG21 ' N ' ' A' ' 37' ' ' GLU . 8.4 p -95.88 144.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.267 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' N ' HG21 ' A' ' 36' ' ' VAL . 12.2 pt-20 -148.05 127.95 13.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.134 0.492 . . . . 0.0 110.582 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.402 ' HB3' HG23 ' A' ' 26' ' ' VAL . 2.5 m-85 -100.22 158.34 15.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.597 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.857 HD12 ' HB3' ' A' ' 50' ' ' ASN . 14.2 tp -87.57 140.55 29.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.505 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.744 ' HB3' HG12 ' A' ' 23' ' ' VAL . 6.1 mp -140.62 129.63 23.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 1.1 tmtp? -79.14 119.17 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.458 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.9 m95 -91.75 132.93 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.074 0.464 . . . . 0.0 111.914 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.49 143.39 55.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.18 -48.48 3.59 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.393 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -66.43 140.03 58.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.617 0.246 . . . . 0.0 110.447 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 50.6 m -52.7 141.36 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.8 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.77 -39.84 62.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.38 -31.23 71.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.519 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.35 43.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.857 ' HB3' HD12 ' A' ' 39' ' ' LEU . 4.8 m120 -65.19 139.74 58.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.276 . . . . 0.0 110.705 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.458 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 82.9 m -137.77 127.64 25.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.981 0.42 . . . . 0.0 111.323 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.49 ' CD1' HD11 ' A' ' 39' ' ' LEU . 16.5 m95 -85.41 141.17 30.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.824 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -131.7 141.04 40.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.331 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.501 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 Cg_endo -57.3 138.69 87.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.578 2.185 . . . . 0.0 111.799 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.494 ' O ' HD13 ' A' ' 58' ' ' LEU . 40.4 tt0 -52.67 -33.71 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.407 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.06 -48.87 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.58 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -64.79 -56.47 13.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.782 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 64' ' ' ILE . 3.7 pp -55.84 149.41 14.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.56 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.732 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 59.8 t0 -124.38 58.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.442 ' HA ' ' OE1' ' B' ' 5' ' ' GLN . 27.0 p -141.98 60.33 10.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' OE1' ' B' ' 5' ' ' GLN . 19.4 Cg_endo -59.64 -37.56 87.17 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.576 2.184 . . . . 0.0 112.451 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.92 -44.62 91.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.325 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.639 HD11 ' H ' ' A' ' 63' ' ' LEU . 5.6 mp -67.7 -37.83 82.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.128 0.489 . . . . 0.0 109.809 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.784 HD13 HD12 ' A' ' 58' ' ' LEU . 85.0 mt -58.1 -49.64 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.655 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.532 ' HB1' HE21 ' A' ' 69' ' ' GLN . . . -61.06 -41.63 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.2 -32.05 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.586 ' HD2' HD23 ' A' ' 68' ' ' LEU . 30.5 t80 -61.47 -56.4 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.586 HD23 ' HD2' ' A' ' 67' ' ' PHE . 2.4 mm? -64.89 -40.22 94.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.791 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.532 HE21 ' HB1' ' A' ' 65' ' ' ALA . 73.6 mt-30 -59.62 -42.42 92.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.2 m -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.117 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.318 -179.622 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.462 ' O ' HG21 ' B' ' 6' ' ' THR . 92.0 mm-40 . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.941 0.401 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.536 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 39.7 p -152.98 116.34 4.67 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.732 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -84.63 135.28 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.468 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.712 179.806 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' HE1' ' A' ' 21' ' ' TYR . 11.5 pt-20 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.919 0.39 . . . . 0.0 111.428 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 96.3 mt-10 -86.76 129.98 34.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' HG22 ' A' ' 23' ' ' VAL . 7.0 m-85 -98.5 140.25 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.71 -47.54 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.505 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 21' ' ' TYR . 17.5 t 65.23 128.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.22 -52.19 17.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HE2' ' HB3' ' A' ' 66' ' ' GLU . 61.6 tttm 178.71 139.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.277 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.557 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -60.76 129.95 24.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.904 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 98.0 mt -80.65 -56.2 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.797 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.873 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.7 m-20 -137.81 -166.08 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -160.15 140.26 11.55 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.679 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.485 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.7 ptm180 -155.79 154.04 30.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.969 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.3 t -121.28 136.15 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.91 0.386 . . . . 0.0 111.192 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.99 127.75 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.371 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt 42.08 38.06 1.0 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.317 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.96 37.63 49.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HB3' ' HZ3' ' A' ' 35' ' ' LYS . 5.1 mmmp? -122.06 140.43 52.52 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.735 0.302 . . . . 0.0 110.585 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.551 HG13 ' H ' ' A' ' 55' ' ' GLU . 48.0 t -92.45 134.92 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.807 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -154.3 135.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.215 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 23.5 m-85 -127.56 135.23 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.904 ' HG ' ' HB2' ' A' ' 27' ' ' LEU . 14.5 tp -75.34 137.83 41.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.917 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.557 HD22 ' HB ' ' A' ' 26' ' ' VAL . 79.5 mt -137.1 132.14 33.67 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 27' ' ' LEU . 27.8 tptp -86.24 76.43 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.306 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 30.6 m95 -55.3 131.35 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.607 ' HB2' ' HZ3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.26 139.08 58.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.431 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.74 -40.1 2.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.161 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.475 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 4.6 m-85 -72.54 137.21 46.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.998 0.427 . . . . 0.0 111.498 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.0 m -62.51 157.23 20.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p30 -53.73 -37.59 63.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -61.61 -36.65 81.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.019 0.438 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -61.4 -28.05 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.837 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 86.7 m-20 -44.75 142.49 1.71 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 111.346 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 t -147.52 128.82 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.987 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.556 ' CZ2' HD21 ' A' ' 39' ' ' LEU . 11.5 m95 -70.46 140.38 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.144 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.771 ' HG3' HD23 ' A' ' 58' ' ' LEU . 6.7 pt-20 -148.5 145.48 20.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.767 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.647 ' HG2' HD21 ' A' ' 57' ' ' ASN . 9.3 Cg_endo -51.46 136.49 48.26 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.143 2.562 . . . . 0.0 113.388 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.551 ' H ' HG13 ' A' ' 36' ' ' VAL . 43.5 tp10 -60.3 -30.89 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.095 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -49.28 -51.27 34.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.647 HD21 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -69.94 -37.61 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.771 HD23 ' HG3' ' A' ' 53' ' ' GLU . 7.4 mt -56.86 125.32 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.14 53.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.295 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.559 ' HB2' ' HB3' ' B' ' 5' ' ' GLN . 26.0 p -151.94 57.24 2.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.3 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.33 -31.55 47.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.695 2.263 . . . . 0.0 112.152 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.78 -50.49 72.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.645 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 54.7 mt -59.37 -45.18 92.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.72 ' H ' HD11 ' A' ' 64' ' ' ILE . 1.9 mp -52.45 -41.17 35.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -61.62 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.354 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.542 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -58.26 -41.7 84.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 179.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.49 ' HA ' ' HZ3' ' A' ' 25' ' ' LYS . 15.9 t80 -68.42 -44.75 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.641 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 76.1 mt -65.66 -41.87 92.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.81 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 28.3 mt-30 -55.22 -36.06 65.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.113 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -53.34 -47.53 69.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 179.703 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.645 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 15.4 mp0 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.506 0.193 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.491 ' HB ' ' HB3' ' A' ' 20' ' ' GLU . 55.0 p -152.07 147.46 26.51 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 111.677 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.655 ' HB2' HD21 ' A' ' 58' ' ' LEU . . . -148.35 130.01 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' B' ' 8' ' ' ARG . 51.2 mtm-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.718 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 19' ' ' GLU . 4.8 mm-40 . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.908 0.385 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 46.7 mt-10 -77.82 136.27 38.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.988 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.425 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 9.0 m-85 -128.75 139.96 51.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -54.01 140.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.4 HG21 ' H ' ' B' ' 7' ' ' ALA . 82.3 t -129.93 127.61 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.435 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -81.97 -54.13 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.716 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.588 ' HA ' HD13 ' A' ' 63' ' ' LEU . 63.5 tttp 177.92 140.14 0.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.877 HG13 ' HB3' ' A' ' 38' ' ' TYR . 17.7 m -63.22 133.65 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.911 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.547 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 3.0 mm? -87.12 -17.04 33.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.577 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 31.2 t0 -176.36 -147.67 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.072 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.535 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 43.4 ttp85 -168.9 136.17 1.89 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.192 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.4 ptt180 -155.45 141.89 18.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.972 0.415 . . . . 0.0 111.95 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.29 137.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.151 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.699 HG22 ' HG2' ' A' ' 33' ' ' LYS . 34.8 m -104.58 -38.8 5.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.405 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.699 ' HG2' HG22 ' A' ' 32' ' ' VAL . 22.1 pttp -167.85 45.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.76 -35.63 4.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HZ2' ' NZ ' ' A' ' 33' ' ' LYS . 6.5 ptpp? -82.2 142.45 32.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.001 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.727 ' HB ' ' HG3' ' A' ' 55' ' ' GLU . 2.4 t -110.58 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.93 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.7 127.52 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.165 0.507 . . . . 0.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.877 ' HB3' HG13 ' A' ' 26' ' ' VAL . 21.7 m-85 -104.75 126.15 51.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.105 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.639 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 14.7 tp -59.79 143.45 51.04 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.568 HD22 ' CG1' ' A' ' 26' ' ' VAL . 74.8 mt -145.48 133.04 20.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 6.9 tmtm? -86.42 96.59 10.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.8 178.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.437 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 40.4 m95 -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 112.247 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -66.35 142.05 57.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.92 -49.69 3.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.609 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.11 141.5 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.522 0.201 . . . . 0.0 110.503 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.494 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.8 m -50.07 139.5 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.747 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -52.17 -46.46 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.962 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.5 pt-20 -57.39 -31.59 65.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.268 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.494 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -76.33 39.32 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.566 ' HB3' HD13 ' A' ' 39' ' ' LEU . 67.4 m-20 -68.23 142.73 55.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.437 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 90.9 m -136.35 128.2 29.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.431 . . . . 0.0 111.821 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.45 ' CE3' ' HG2' ' A' ' 30' ' ' ARG . 10.9 m95 -78.7 149.17 32.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.16 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -140.39 128.92 12.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.673 0.273 . . . . 0.0 111.364 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.509 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 Cg_exo -56.01 143.56 82.48 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.577 2.185 . . . . 0.0 111.778 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.727 ' HG3' ' HB ' ' A' ' 36' ' ' VAL . 54.9 mt-10 -50.56 -37.04 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.887 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.94 -49.47 70.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.662 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -66.26 -53.97 30.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.592 HD11 ' H ' ' A' ' 60' ' ' CYS . 3.0 pp -61.14 166.14 3.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.076 0.465 . . . . 0.0 111.46 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.788 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 38.8 t70 -137.4 50.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.662 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.592 ' H ' HD11 ' A' ' 58' ' ' LEU . 24.7 p -128.32 54.88 14.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.24 -45.11 43.43 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.591 2.194 . . . . 0.0 112.562 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.72 -33.81 66.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.002 0.429 . . . . 0.0 110.488 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.646 ' H ' HD21 ' A' ' 63' ' ' LEU . 2.6 mm? -67.0 -44.37 80.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.808 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.524 HD11 ' N ' ' A' ' 64' ' ' ILE . 2.0 mp -60.84 -47.22 94.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 110.676 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -59.67 -46.43 89.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.574 ' HG3' ' HZ2' ' A' ' 25' ' ' LYS . 17.8 tp10 -59.16 -41.58 88.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 29.2 t80 -55.45 -49.29 72.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.161 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.59 -37.79 85.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.474 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 98.2 mm-40 -54.23 -40.61 67.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.2 t -55.04 -36.37 65.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.21 -179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' B' ' 5' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.977 0.418 . . . . 0.0 111.612 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.544 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 65.0 p -148.95 110.24 4.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.376 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.788 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -69.46 -155.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.713 HH12 ' HB2' ' A' ' 59' ' ' ASP . 63.7 mtt85 . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 121.12 0.486 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.855 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 0.9 OUTLIER -79.87 137.02 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.196 0.522 . . . . 0.0 112.014 -179.534 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -122.92 133.36 54.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.541 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 57.8 t -64.0 134.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.812 HG12 ' HB3' ' A' ' 40' ' ' LEU . 41.6 t -124.38 130.9 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.93 -50.12 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -179.69 142.32 0.17 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 ' HB2' ' A' ' 67' ' ' PHE . 17.9 m -64.78 133.05 30.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 89.4 mt -78.36 -32.54 49.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.437 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.528 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.8 t70 -170.6 -153.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.878 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.528 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.4 ptt180 -168.61 142.27 3.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.372 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -155.65 144.69 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 111.217 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.1 t -92.72 143.04 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.972 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.456 HG21 ' H ' ' A' ' 33' ' ' LYS . 31.6 m -101.61 -40.69 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.725 0.298 . . . . 0.0 111.701 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -169.7 53.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.155 0.503 . . . . 0.0 110.374 -179.632 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 -25.38 28.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.885 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.431 ' C ' HG21 ' A' ' 36' ' ' VAL . 94.2 mttt -74.99 -155.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 111.04 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 38.9 t -145.57 145.71 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.01 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.805 ' HG2' ' HB3' ' A' ' 52' ' ' TRP . 27.7 tt0 -151.33 127.0 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.249 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.487 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 12.5 m-85 -119.58 144.09 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 111.891 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.595 HD11 ' H ' ' A' ' 40' ' ' LEU . 14.1 tp -88.07 145.55 25.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.36 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.812 ' HB3' HG12 ' A' ' 23' ' ' VAL . 5.3 mp -140.92 135.47 31.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.034 0.445 . . . . 0.0 111.606 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HB2' HD22 ' A' ' 27' ' ' LEU . 58.7 tptt -81.29 67.03 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.043 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.615 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 19.7 m95 -47.88 133.9 13.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.79 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HD3' ' HB ' ' A' ' 22' ' ' VAL . 22.2 pttp -58.08 140.26 52.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.299 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.57 -36.33 1.6 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.608 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 1.3 m-85 -74.18 128.71 36.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 m -69.76 -166.45 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.279 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.504 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.6 m-20 -65.28 -51.99 57.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.36 -38.47 87.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.47 -34.85 64.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.451 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.615 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 80.4 m-20 -51.08 142.13 12.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 111.368 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.597 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.3 t -137.58 131.39 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.763 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.805 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 5.9 m95 -72.67 142.63 48.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.387 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HB2' HD22 ' A' ' 58' ' ' LEU . 52.6 mm-40 -135.32 139.78 32.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.707 ' HG2' HD21 ' A' ' 57' ' ' ASN . 8.5 Cg_endo -50.2 131.57 31.48 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.47 2.113 . . . . 0.0 111.81 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 17.6 tp10 -50.65 -28.61 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.492 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.09 -50.95 67.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.707 HD21 ' HG2' ' A' ' 54' ' ' PRO . 77.3 m-20 -71.35 -36.69 71.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 111.324 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' B' ' 7' ' ' ALA . 16.5 mt -52.08 139.13 23.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.264 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.698 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -130.72 54.5 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' B' ' 5' ' ' GLN . 64.1 m -142.43 57.89 6.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.892 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.6 Cg_exo -52.71 -38.58 77.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.516 2.144 . . . . 0.0 111.978 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.53 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 64.7 t0 -60.87 -45.36 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.593 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HA ' HD21 ' A' ' 63' ' ' LEU . 53.0 mt -63.67 -39.92 95.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.383 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 60' ' ' CYS . 47.2 mm -55.38 -51.46 56.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -57.26 -39.75 76.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.364 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.61 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 97.3 mt-10 -56.79 -41.85 78.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.498 ' CD2' HD21 ' A' ' 68' ' ' LEU . 15.6 t80 -62.97 -52.64 62.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.526 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.681 ' N ' HD21 ' A' ' 68' ' ' LEU . 3.4 mm? -56.31 -33.46 65.59 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.61 ' NE2' ' HA ' ' A' ' 66' ' ' GLU . 74.1 mt-30 -50.47 -37.1 36.7 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.4 t -58.63 -49.18 78.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 . . . . . 0 C--O 1.233 0.197 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.403 178.222 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.505 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 120.981 0.42 . . . . 0.0 111.809 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 40.0 p -153.39 115.44 4.33 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.738 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.698 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -71.29 -7.29 46.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.455 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.855 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 88.4 mtm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 39.3 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.666 0.269 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.716 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 92.8 mt-10 -74.2 131.2 41.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.944 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.7 m-85 -117.66 143.23 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -55.35 135.03 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -117.9 135.43 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.568 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -86.74 -74.99 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -158.3 135.91 10.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.152 0.501 . . . . 0.0 111.368 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.804 HG21 HD22 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -60.7 134.65 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.459 HD13 ' HG ' ' A' ' 39' ' ' LEU . 89.8 mt -97.03 -40.33 8.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -174.72 -144.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.415 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . 15.7 ptm180 -168.95 147.22 3.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.62 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.557 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 16.4 ptm180 -155.12 138.81 16.1 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.59 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.454 HG11 ' O ' ' A' ' 35' ' ' LYS . 58.3 t -88.19 138.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.9 t -88.1 -50.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.841 0.353 . . . . 0.0 111.521 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -171.08 42.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.955 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.63 -31.19 4.45 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.179 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' HG11 ' A' ' 31' ' ' VAL . 56.5 mtpt -78.6 -151.57 0.05 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.094 0.473 . . . . 0.0 110.653 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 7.5 p -166.8 136.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -145.1 127.98 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.792 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 29' ' ' ARG . 5.5 m-85 -98.62 143.47 28.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.33 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.899 HD13 ' HB3' ' A' ' 50' ' ' ASN . 24.9 tp -82.75 140.08 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.86 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.804 HD22 HG21 ' A' ' 26' ' ' VAL . 4.7 mp -154.98 135.73 13.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.886 0.374 . . . . 0.0 111.819 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.809 ' HE2' ' HA ' ' A' ' 47' ' ' ASP . 27.7 tptp -77.01 127.62 33.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.616 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' HZ2' ' HG2' ' A' ' 53' ' ' GLU . 30.7 m95 -106.41 129.86 54.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.111 0.481 . . . . 0.0 111.507 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -56.7 144.0 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.728 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.66 -47.64 3.69 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.938 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.404 ' HD1' ' H ' ' A' ' 45' ' ' PHE . 1.5 m-85 -67.63 145.82 54.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.803 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.606 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 50.1 m -49.1 151.35 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.809 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 11.8 p-10 -55.64 -55.49 31.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.194 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.59 ' OE2' ' HB3' ' A' ' 46' ' ' SER . 1.2 pm0 -68.12 -11.09 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.629 0.252 . . . . 0.0 111.071 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HB2' ' A' ' 46' ' ' SER . 31.8 t70 -75.38 24.8 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.244 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.899 ' HB3' HD13 ' A' ' 39' ' ' LEU . 68.4 m-20 -63.5 139.1 58.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.718 0.294 . . . . 0.0 110.449 179.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -136.24 126.87 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.262 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.56 ' NE1' HD12 ' A' ' 39' ' ' LEU . 9.0 m95 -76.43 131.87 39.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.615 ' HB2' HD22 ' A' ' 58' ' ' LEU . 50.7 mm-40 -111.95 147.01 35.97 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.4 Cg_exo -59.7 136.36 70.12 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.059 1.839 . . . . 0.0 111.214 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HA ' HD13 ' A' ' 58' ' ' LEU . 15.6 tp10 -51.33 -42.77 61.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.389 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 15.3 pt-20 -61.6 -43.15 99.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 2.6 m120 -61.28 -35.49 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 53' ' ' GLU . 20.3 mt -55.49 146.11 21.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.368 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.511 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -139.69 52.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 63' ' ' LEU . 25.2 p -165.7 60.62 0.67 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.675 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.624 ' HA ' HD13 ' A' ' 64' ' ' ILE . 76.5 Cg_exo -50.55 -26.16 16.09 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.751 2.301 . . . . 0.0 112.587 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.572 ' HB3' ' NE2' ' B' ' 5' ' ' GLN . 8.3 t70 -51.16 -43.5 61.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.075 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.425 HD13 ' SG ' ' A' ' 60' ' ' CYS . 76.7 mt -67.7 -40.77 84.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.897 0.38 . . . . 0.0 110.046 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.624 HD13 ' HA ' ' A' ' 61' ' ' PRO . 67.6 mt -55.36 -43.54 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -63.01 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.898 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HA ' ' OE1' ' A' ' 69' ' ' GLN . 39.3 tt0 -56.43 -36.62 69.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.321 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.511 ' HB2' HG13 ' A' ' 26' ' ' VAL . 19.0 t80 -59.68 -56.33 23.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.383 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.567 ' N ' HD11 ' A' ' 68' ' ' LEU . 5.5 mp -63.94 -28.74 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.045 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 84.9 mt-30 -48.82 -43.48 38.42 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.219 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.6 m -66.04 -46.05 79.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.929 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.0 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.572 ' NE2' ' HB3' ' A' ' 62' ' ' ASP . 69.7 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.506 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 68.3 p -143.86 140.34 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.608 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . . . -123.23 27.96 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.716 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 72.3 mtt-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.256 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 39.2 tt0 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.705 0.288 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.89 73.87 2.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 7.0 m-85 -60.44 136.29 58.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.354 . . . . 0.0 110.961 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.28 136.52 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.533 HG12 HD21 ' A' ' 40' ' ' LEU . 19.1 t -127.5 129.72 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.16 -53.23 13.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -177.87 136.38 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.461 HG13 HD22 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.8 130.34 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.85 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 86.5 mt -81.99 -49.24 10.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.362 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.821 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 2.1 m-20 -146.05 -158.42 0.9 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.481 ' HG2' ' HE2' ' A' ' 67' ' ' PHE . 36.6 ptt85 -169.02 134.31 1.58 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.46 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.533 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 39.8 ptt180 -157.01 141.88 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.853 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.0 t -100.92 139.61 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.73 -80.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.323 . . . . 0.0 110.754 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.589 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 5.2 mtpm? -85.37 42.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.763 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.5 -24.16 5.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.399 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -75.25 142.62 43.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.991 0.424 . . . . 0.0 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 t -98.89 83.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.48 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.38 127.01 35.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.208 0.527 . . . . 0.0 111.145 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 7.6 m-85 -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.225 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.85 ' HG ' ' HB2' ' A' ' 27' ' ' LEU . 14.4 tp -85.05 136.15 33.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.646 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 23' ' ' VAL . 4.6 mp -151.07 140.97 21.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.752 0.311 . . . . 0.0 111.484 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -83.18 140.29 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -119.52 134.39 55.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.05 0.452 . . . . 0.0 111.134 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.582 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -58.52 147.99 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.84 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.95 -49.74 3.78 Favored Glycine 0 C--N 1.331 0.298 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.77 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -71.78 140.32 49.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -51.54 146.79 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.61 -41.43 73.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.983 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -62.93 -21.02 65.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.38 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.63 43.17 0.24 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.777 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.578 ' HB3' HD13 ' A' ' 39' ' ' LEU . 5.4 m120 -57.37 142.61 43.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.732 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.432 HG21 ' OE1' ' A' ' 53' ' ' GLU . 89.2 m -145.66 116.16 7.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.533 ' CZ3' ' HG2' ' A' ' 30' ' ' ARG . 8.7 m95 -85.45 117.66 24.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.262 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.432 ' OE1' HG21 ' A' ' 51' ' ' THR . 3.1 mm-40 -107.55 142.04 24.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.796 ' HG2' HD21 ' A' ' 57' ' ' ASN . 5.8 Cg_endo -49.56 133.1 31.55 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 16.5 tp10 -56.84 -33.69 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.901 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.56 -48.29 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.575 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.796 HD21 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -72.34 -36.0 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.811 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' B' ' 7' ' ' ALA . 25.5 mt -48.79 140.36 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.616 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -132.83 48.75 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.002 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.828 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 70.1 m -126.44 64.19 54.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.03 -44.53 48.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.461 2.108 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.635 ' H ' HE21 ' B' ' 5' ' ' GLN . 61.7 m-20 -67.18 -44.45 79.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.573 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 52.5 mt -62.37 -43.85 97.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.655 0.264 . . . . 0.0 111.009 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 60' ' ' CYS . 87.3 mt -55.13 -47.82 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.231 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -59.55 -35.49 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.119 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 52.7 mt-10 -62.44 -41.13 98.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.376 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 9.8 t80 -71.46 -51.42 23.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.146 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.667 ' N ' HD11 ' A' ' 68' ' ' LEU . 5.5 mp -65.33 -21.4 66.7 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.214 0.531 . . . . 0.0 109.893 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 51.0 tp60 -49.31 -41.99 40.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.746 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.2 m -62.18 -44.97 95.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.612 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' OE1' ' N ' ' A' ' 71' ' ' GLN . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.88 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.828 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 12.1 mm100 . . . . . 0 N--CA 1.461 0.092 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 5' ' ' GLN . 17.7 p 63.32 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.288 0.566 . . . . 0.0 112.036 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.68 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -144.66 116.56 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.997 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.613 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 42.5 tp10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -78.45 77.98 4.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.434 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.613 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 5.5 m-85 -61.04 141.66 57.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.464 ' HA ' HG21 ' B' ' 6' ' ' THR . 46.6 t -56.12 -43.47 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.763 HG22 ' HB2' ' B' ' 7' ' ' ALA . 21.8 t 67.1 143.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 111.031 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.592 ' HG2' ' HG2' ' A' ' 25' ' ' LYS . 38.7 tt0 -95.21 -52.59 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.592 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -173.43 149.38 1.7 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.503 HG21 HD22 ' A' ' 40' ' ' LEU . 1.2 t -72.1 144.1 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.601 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.67 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.1 mm? -108.72 -39.67 5.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.522 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.537 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 36.9 t0 -171.28 -146.31 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.403 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.537 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 32.2 ptt85 -168.79 141.34 2.77 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 2.8 ptm85 -155.58 137.04 14.07 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -95.88 132.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.256 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.679 HG22 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -94.07 -30.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.096 0.474 . . . . 0.0 111.222 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.679 ' HG2' HG22 ' A' ' 32' ' ' VAL . 60.0 pttt -159.9 -31.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.74 -22.53 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.917 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.578 ' HG2' HG21 ' A' ' 32' ' ' VAL . 21.8 ptmt -76.59 159.45 30.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.726 HG13 ' HE1' ' A' ' 38' ' ' TYR . 1.9 t -115.94 81.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -87.46 127.54 35.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.315 0.578 . . . . 0.0 111.381 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.726 ' HE1' HG13 ' A' ' 36' ' ' VAL . 8.1 m-85 -106.44 143.71 34.16 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.811 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.79 HD13 ' HB3' ' A' ' 50' ' ' ASN . 19.3 tp -83.19 140.64 32.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.503 HD22 HG21 ' A' ' 26' ' ' VAL . 4.9 mp -152.16 133.62 14.56 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.414 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' NZ ' ' HB2' ' A' ' 41' ' ' LYS . 4.9 ttmp? -74.85 134.02 41.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.515 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 33.8 m95 -107.59 134.39 50.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.478 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -62.55 145.4 54.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.86 -51.24 4.28 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -70.89 139.77 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.67 0.271 . . . . 0.0 110.437 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -52.72 144.44 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -55.03 -34.19 63.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -63.64 -27.78 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.807 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -76.5 43.94 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.599 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.79 ' HB3' HD13 ' A' ' 39' ' ' LEU . 4.6 m120 -60.72 143.68 53.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.652 0.263 . . . . 0.0 110.584 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -145.78 121.47 10.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.984 0.421 . . . . 0.0 111.565 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.501 ' NE1' HD12 ' A' ' 39' ' ' LEU . 10.8 m95 -83.84 154.52 23.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.132 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.453 ' OE2' ' HB3' ' B' ' 7' ' ' ALA . 16.2 pt-20 -149.05 138.8 12.88 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.444 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.668 ' HG2' HD21 ' A' ' 57' ' ' ASN . 17.7 Cg_endo -57.89 126.85 22.98 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.539 2.159 . . . . 0.0 112.107 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 5.0 tm-20 -41.46 -34.15 0.51 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.74 -50.72 43.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.668 HD21 ' HG2' ' A' ' 54' ' ' PRO . 77.1 m-20 -72.82 -30.75 64.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.727 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.723 ' H ' HD21 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -44.38 132.12 6.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.71 -179.283 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -122.31 41.83 3.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.846 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.899 ' HB2' HD12 ' A' ' 63' ' ' LEU . 25.7 p -155.7 59.05 2.0 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.549 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.3 -29.46 30.11 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.904 2.403 . . . . 0.0 112.184 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.598 ' HB3' HE21 ' B' ' 5' ' ' GLN . 33.3 t70 -56.0 -39.94 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.899 HD12 ' HB2' ' A' ' 60' ' ' CYS . 7.4 mp -70.35 -42.34 71.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.774 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.57 -44.05 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.66 -43.95 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 89.2 tt0 -56.44 -39.58 73.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.846 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.14 -32.73 72.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.908 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 75.8 mt-30 -53.39 -43.04 67.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.255 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.7 m -60.42 -32.9 71.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.759 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.013 179.569 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.598 HE21 ' HB3' ' A' ' 62' ' ' ASP . 11.8 mm100 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.551 0.215 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.464 HG21 ' HA ' ' A' ' 22' ' ' VAL . 61.0 p -147.36 179.87 7.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 111.536 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.763 ' HB2' HG22 ' A' ' 23' ' ' VAL . . . -177.1 122.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.921 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 80.4 mtm180 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.155 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' B' ' 8' ' ' ARG . 84.5 tt0 . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.703 0.287 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.757 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 45.4 mt-10 -76.11 134.04 40.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -112.24 140.27 47.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.46 140.37 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.526 HG22 ' HB1' ' B' ' 7' ' ' ALA . 58.8 t -127.37 132.55 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 111.765 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.77 -50.73 7.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.398 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -179.53 138.78 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.51 HG13 HD22 ' A' ' 40' ' ' LEU . 3.1 m -63.9 133.2 29.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.501 HD11 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -86.79 -35.91 18.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CH2' ' A' ' 52' ' ' TRP . 35.0 t70 -166.01 145.17 6.06 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -101.87 135.82 42.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -154.32 132.82 12.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.7 t -90.69 144.17 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.42 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.867 HG21 ' HG3' ' A' ' 33' ' ' LYS . 2.8 p -149.92 124.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.879 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.867 ' HG3' HG21 ' A' ' 32' ' ' VAL . 43.6 mtmt 62.48 37.01 13.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.094 -178.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.17 -19.08 3.04 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.712 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.494 ' HZ3' ' HZ3' ' A' ' 33' ' ' LYS . 88.2 mttt -69.08 -150.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.35 0.595 . . . . 0.0 110.958 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.8 p -169.52 133.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.418 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -141.17 139.05 33.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CE1' HG23 ' A' ' 36' ' ' VAL . 9.8 m-85 -116.61 129.08 55.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.468 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.537 HD12 ' NE1' ' A' ' 52' ' ' TRP . 22.7 tp -62.3 147.38 48.35 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.51 HD22 HG13 ' A' ' 26' ' ' VAL . 95.7 mt -145.25 129.31 17.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -177.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.22 111.95 18.1 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.704 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.416 ' HZ2' ' OE1' ' A' ' 53' ' ' GLU . 44.6 m95 -90.4 130.29 36.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.323 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.59 142.11 57.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.77 -41.46 2.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.959 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -68.69 136.44 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.678 0.275 . . . . 0.0 110.677 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.3 m -58.33 146.03 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.2 -40.57 61.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.67 -31.5 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.519 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.16 40.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' HB3' HD13 ' A' ' 39' ' ' LEU . 4.9 m120 -67.21 141.86 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.603 0.24 . . . . 0.0 110.431 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -140.86 128.07 20.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 111.408 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.537 ' NE1' HD12 ' A' ' 39' ' ' LEU . 19.9 m95 -92.39 150.49 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.472 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' OE1' ' HZ2' ' A' ' 42' ' ' TRP . 1.3 pm0 -151.4 146.1 18.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.397 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.876 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 31.0 Cg_endo -61.8 120.56 8.23 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.638 2.225 . . . . 0.0 111.911 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.599 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 38.4 tt0 -43.32 -29.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.84 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.876 ' HG2' ' HB2' ' A' ' 54' ' ' PRO . 16.1 pt-20 -46.3 -46.2 17.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.996 0.427 . . . . 0.0 110.202 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.549 HD21 ' HG2' ' A' ' 54' ' ' PRO . 76.0 m-20 -76.14 -37.21 58.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.758 HD11 ' H ' ' A' ' 58' ' ' LEU . 6.6 mp -54.85 138.11 43.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -130.92 56.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.496 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 26.7 p -145.46 56.59 3.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.229 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 49.9 Cg_exo -55.84 -34.77 92.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.519 2.146 . . . . 0.0 112.424 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.553 ' H ' HE22 ' B' ' 5' ' ' GLN . 34.5 t70 -56.89 -50.28 72.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.495 ' HG ' ' OE1' ' B' ' 5' ' ' GLN . 30.8 mt -66.75 -41.01 88.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.131 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 84.9 mt -54.03 -42.05 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.251 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.09 -42.42 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -55.85 -42.08 75.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -67.33 -47.16 71.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.183 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 78.7 mt -61.56 -25.11 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.916 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 3.4 mm100 -46.84 -43.17 18.32 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.627 0.251 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 m -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.119 0.485 . . . . 0.0 109.932 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.308 178.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.553 HE22 ' H ' ' A' ' 62' ' ' ASP . 79.2 mt-30 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.513 0.197 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.6 p -158.84 -174.59 4.84 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.197 0.523 . . . . 0.0 111.573 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.526 ' HB1' HG22 ' A' ' 23' ' ' VAL . . . -174.19 115.54 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.62 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.757 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 19.2 ttm105 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.863 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.932 0.396 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -79.99 123.92 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.599 ' O ' HG22 ' A' ' 23' ' ' VAL . 2.8 m-85 -100.3 146.78 26.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.585 HG22 ' HZ2' ' A' ' 43' ' ' LYS . 49.1 t -55.78 -44.85 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.78 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' B' ' 7' ' ' ALA . 21.4 t 66.97 141.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.418 . . . . 0.0 111.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.667 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 14.6 tp10 -85.22 -61.11 1.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.952 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -179.19 139.86 0.15 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 111.709 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -58.61 135.57 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.789 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.587 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 2.5 mm? -100.93 -36.45 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 18.1 t70 -172.33 -150.62 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.512 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.546 ' HG2' HH11 ' A' ' 29' ' ' ARG . 20.5 ptt-85 -168.58 142.69 3.19 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.1 ptt180 -155.51 134.33 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.162 0.506 . . . . 0.0 112.195 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.1 t -79.01 151.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.734 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.618 HG21 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -135.1 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.901 0.382 . . . . 0.0 111.249 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.618 ' HG2' HG21 ' A' ' 32' ' ' VAL . 21.3 ptmt -163.12 53.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.09 -29.98 4.51 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.46 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HZ3' ' HB2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -78.29 -151.82 0.05 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 p -167.04 127.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.309 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -114.3 129.68 56.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 8.7 m-85 -102.14 138.77 38.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.479 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' A' ' 50' ' ' ASN . 22.1 tp -80.68 137.46 36.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.619 HD21 HG12 ' A' ' 23' ' ' VAL . 4.5 mp -151.74 129.6 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 111.707 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.667 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 85.5 tttt -72.16 138.16 47.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.498 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 62.9 m95 -111.31 133.17 53.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.118 0.485 . . . . 0.0 111.53 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.585 ' HZ2' HG22 ' A' ' 22' ' ' VAL . 38.4 ttpt -61.04 143.42 55.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.24 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.4 -46.24 2.99 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.207 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.74 139.07 53.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.638 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.405 ' OG ' ' HG2' ' A' ' 48' ' ' GLU . 46.7 t -52.01 146.22 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.17 -43.0 63.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 24.6 pt-20 -61.5 -29.24 69.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.033 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -74.07 36.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.824 ' HB3' HD12 ' A' ' 39' ' ' LEU . 68.4 m-20 -69.48 141.89 53.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.287 . . . . 0.0 110.39 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -135.49 126.86 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.537 ' NE1' HD11 ' A' ' 39' ' ' LEU . 13.3 m95 -81.55 124.72 29.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 59.7 mm-40 -89.58 143.23 30.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.052 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 57' ' ' ASN . 6.4 Cg_exo -73.0 45.3 0.9 Allowed 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.152 2.568 . . . . 0.0 113.407 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.2 tt0 58.29 -73.73 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' PRO . 55.0 mt-10 -49.25 -38.68 27.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.514 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 3.5 m120 -58.47 -58.42 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.862 HD12 HD12 ' A' ' 64' ' ' ILE . 3.3 pp -59.31 179.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 111.75 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.775 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 35.0 t70 -156.98 44.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.253 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.668 ' HB3' HD12 ' A' ' 63' ' ' LEU . 75.2 m -120.72 69.88 17.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.949 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.81 -38.16 96.41 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.906 2.404 . . . . 0.0 112.385 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.625 ' HB3' HE21 ' B' ' 5' ' ' GLN . 38.6 t70 -62.6 -40.58 97.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' A' ' 60' ' ' CYS . 7.8 mp -68.47 -45.38 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.925 0.393 . . . . 0.0 110.659 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.862 HD12 HD12 ' A' ' 58' ' ' LEU . 79.4 mt -59.47 -42.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -70.18 -41.02 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.152 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.27 -38.03 79.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.048 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.662 ' HB2' HG13 ' A' ' 26' ' ' VAL . 16.6 t80 -60.8 -48.99 79.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.363 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.94 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.39 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 72.3 mt-30 -58.76 -39.54 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.8 t -57.22 -51.7 68.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.146 -179.548 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.625 HE21 ' HB3' ' A' ' 62' ' ' ASP . 73.9 mt-30 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 52.4 p -154.38 125.29 7.18 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.594 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.813 ' HB2' HG23 ' A' ' 23' ' ' VAL . . . -80.08 -131.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.508 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 39.8 ttm180 . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.745 0.307 . . . . 0.0 110.74 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 89.1 tt0 . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 8.7 mp0 -68.27 76.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.454 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.6 m-85 -61.23 135.3 57.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.192 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.765 ' HA ' HG21 ' B' ' 6' ' ' THR . 21.4 t -67.45 137.47 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.33 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 40' ' ' LEU . 6.8 p -129.07 134.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.589 ' HG2' ' HG3' ' A' ' 25' ' ' LYS . 44.1 tt0 -67.25 -69.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.605 ' HA ' HD21 ' A' ' 63' ' ' LEU . 67.3 mttm -154.05 143.7 21.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.167 0.508 . . . . 0.0 111.949 -178.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG2' HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -60.01 131.85 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.564 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 94.6 mt -92.94 -43.02 9.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 41.4 m-20 -164.46 -153.55 0.21 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 112.014 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HG2' ' HE2' ' A' ' 67' ' ' PHE . 40.1 ptt180 -168.93 139.06 2.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.635 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.54 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.89 129.18 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.078 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -89.12 140.8 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 110.983 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.593 HG23 ' HZ1' ' A' ' 33' ' ' LYS . 7.4 p -153.99 131.96 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.882 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.593 ' HZ1' HG23 ' A' ' 32' ' ' VAL . 57.2 mttp 75.62 -37.31 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.625 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 154.23 -21.65 0.66 Allowed Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.698 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.852 ' H ' ' HD2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -100.94 139.37 36.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.042 0.448 . . . . 0.0 111.758 -179.071 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.645 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 2.8 t -80.8 141.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.401 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 11.6 pt-20 -139.08 127.18 22.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 110.83 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.474 ' HE1' HG13 ' A' ' 36' ' ' VAL . 6.5 m-85 -105.34 129.5 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.63 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.595 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 27.0 tp -64.88 143.68 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.515 HD22 ' CG2' ' A' ' 26' ' ' VAL . 74.3 mt -142.77 131.57 22.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.473 . . . . 0.0 112.184 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 28.4 tptp -83.05 72.35 10.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.491 ' CZ3' ' HB ' ' A' ' 23' ' ' VAL . 48.8 m95 -58.16 138.01 56.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 45' ' ' PHE . 22.1 pttp -58.86 143.86 46.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.328 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.03 -39.84 2.07 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.567 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.403 ' H ' ' C ' ' A' ' 43' ' ' LYS . 2.2 m-85 -78.99 131.07 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.7 m -70.17 -166.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.445 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.66 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 8.2 t70 -67.42 -50.36 59.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.072 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -40.36 94.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.63 -36.79 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.405 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.66 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 76.9 m-20 -52.03 136.13 29.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.018 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.404 HG21 ' O ' ' A' ' 51' ' ' THR . 5.8 t -128.33 131.68 48.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.445 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.517 ' CE3' ' HG2' ' A' ' 30' ' ' ARG . 8.8 m95 -66.66 101.83 0.84 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.944 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.517 ' HG2' HD22 ' A' ' 58' ' ' LEU . 88.4 tt0 -88.13 137.63 31.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.189 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.796 ' HG2' HD21 ' A' ' 57' ' ' ASN . 9.6 Cg_endo -53.23 133.68 53.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.422 2.082 . . . . 0.0 111.768 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.9 tt0 -52.79 -30.37 32.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.578 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -57.21 -52.22 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.839 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.796 HD21 ' HG2' ' A' ' 54' ' ' PRO . 79.1 m-20 -70.66 -31.29 68.16 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.704 HD21 ' HB3' ' B' ' 7' ' ' ALA . 17.3 mt -50.23 140.27 13.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 111.453 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 29.2 m-20 -127.92 41.11 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.19 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.645 ' O ' HD13 ' A' ' 63' ' ' LEU . 8.9 p -144.02 59.76 7.37 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.224 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 21.5 Cg_endo -60.93 -9.18 11.27 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.364 2.042 . . . . 0.0 112.053 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 35.0 t70 -65.79 -64.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.547 -179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.686 HD11 ' N ' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -68.42 -32.83 73.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.168 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.686 ' N ' HD11 ' A' ' 63' ' ' LEU . 77.4 mt -58.77 -41.8 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 61' ' ' PRO . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.42 178.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 71.8 mm-40 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 49.1 t80 -69.64 -51.97 30.04 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.031 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.617 ' N ' HD13 ' A' ' 68' ' ' LEU . 3.3 mp -78.23 -48.15 16.43 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -46.5 -42.73 16.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -64.47 -42.86 95.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.187 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.115 -179.851 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 23' ' ' VAL . 3.2 mm100 . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.871 0.367 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.765 HG21 ' HA ' ' A' ' 22' ' ' VAL . 27.5 p -155.78 154.05 30.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.704 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -155.67 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.566 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 89.7 mtm-85 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.329 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.717 0.294 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -90.81 89.5 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' HG22 ' A' ' 23' ' ' VAL . 3.9 m-85 -62.46 133.66 55.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.136 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.532 ' HA ' HG21 ' B' ' 6' ' ' THR . 56.7 t -57.84 -47.28 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 21' ' ' TYR . 21.3 t 65.72 133.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.187 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -73.87 -55.97 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.42 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt 179.64 136.75 0.11 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.593 ' HA ' HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.5 130.48 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.131 179.145 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.587 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 2.7 mm? -86.87 -71.43 0.55 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.901 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.5 m-20 -124.96 143.88 50.66 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB2' ' HE2' ' A' ' 67' ' ' PHE . 78.4 ttt180 -97.76 146.86 24.96 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.509 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 45.2 ttt85 -154.31 160.82 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.077 0.465 . . . . 0.0 111.652 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' A' ' 36' ' ' VAL . 19.1 t -150.38 131.2 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.977 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 33' ' ' LYS . 19.6 m -98.63 -129.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HG2' HG22 ' A' ' 32' ' ' VAL . 24.3 pttm -52.2 -21.75 3.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.654 0.264 . . . . 0.0 111.271 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.47 -26.97 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.141 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -60.39 159.38 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.051 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.489 HG13 ' CE1' ' A' ' 38' ' ' TYR . 3.3 t -122.46 89.7 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.729 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.616 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -88.62 130.69 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 111.554 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.489 ' CE1' HG13 ' A' ' 36' ' ' VAL . 43.0 m-85 -114.44 130.68 56.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.669 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.901 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 11.6 tp -74.88 141.85 44.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.4 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.593 HD21 ' HA ' ' A' ' 26' ' ' VAL . 67.5 mt -139.88 135.63 33.09 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' ' 47' ' ' ASP . 28.0 tptp -89.22 73.22 8.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.553 ' NE1' ' HB ' ' A' ' 51' ' ' THR . 29.0 m95 -52.93 129.92 31.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.355 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HD3' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -66.82 150.66 48.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.611 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.19 -49.66 3.58 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.686 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.47 140.65 55.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.322 . . . . 0.0 110.801 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m -53.17 151.12 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 10.9 m-20 -52.05 -38.54 57.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.86 -29.28 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.582 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.47 42.34 0.12 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.536 ' HB3' HD12 ' A' ' 39' ' ' LEU . 5.7 m120 -68.55 142.78 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.572 0.225 . . . . 0.0 110.48 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.553 ' HB ' ' NE1' ' A' ' 42' ' ' TRP . 66.9 m -143.19 129.06 19.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.177 0.513 . . . . 0.0 111.529 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.552 ' HB3' ' HB2' ' A' ' 37' ' ' GLU . 13.1 m95 -93.71 138.71 31.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.032 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.616 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 58.1 mm-40 -119.09 143.92 34.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.913 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HD2' HD21 ' A' ' 57' ' ' ASN . 47.7 Cg_endo -67.11 26.9 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.822 2.348 . . . . 0.0 114.7 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 34.6 tt0 68.72 -42.05 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -57.82 -44.54 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.492 HD21 ' HD2' ' A' ' 54' ' ' PRO . 75.8 m-80 -65.89 -27.03 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.389 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.629 ' H ' HD21 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -54.14 108.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.196 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.585 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -85.49 -22.86 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 109.498 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.581 ' SG ' HD11 ' A' ' 63' ' ' LEU . 11.5 p -93.42 102.76 8.1 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 59' ' ' ASP . 82.1 Cg_endo -78.8 -33.78 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.182 1.921 . . . . 0.0 112.045 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -54.71 -42.66 71.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.948 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.581 HD11 ' SG ' ' A' ' 60' ' ' CYS . 41.5 mt -59.68 -51.47 69.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.625 0.25 . . . . 0.0 111.401 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.555 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 77.2 mt -52.22 -46.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.632 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.619 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -64.93 -41.09 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.579 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -54.85 -46.8 74.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.405 ' HE2' ' HB2' ' A' ' 29' ' ' ARG . 15.8 t80 -65.64 -45.23 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.58 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 79.7 mt -63.13 -26.96 69.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.2 mm-40 -48.83 -43.32 38.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.56 0.219 . . . . 0.0 111.455 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 p -57.18 -43.96 83.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.613 179.495 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.542 ' C ' ' HB3' ' A' ' 60' ' ' CYS . 76.7 mt-30 . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.178 0.037 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.585 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 29.1 p 63.43 129.72 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.047 0.539 . . . . 0.0 112.372 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.434 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -100.18 -132.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.417 ' H ' ' HB2' ' B' ' 7' ' ' ALA . 31.8 ttm180 . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HB3' ' HG1' ' B' ' 6' ' ' THR . 90.0 mt-10 -70.54 131.42 43.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.839 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.616 ' O ' HG21 ' A' ' 23' ' ' VAL . 4.1 m-85 -101.93 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.222 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.479 ' HA ' HG23 ' B' ' 6' ' ' THR . 46.3 t -54.69 -46.54 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.554 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.616 HG21 ' O ' ' A' ' 21' ' ' TYR . 17.4 t 64.48 127.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.368 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -79.22 -48.67 13.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -178.94 138.2 0.15 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.487 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -63.49 130.73 28.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.724 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 96.2 mt -79.95 -61.43 1.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.641 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.913 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 75.9 m-20 -133.85 -159.17 0.94 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 33.4 ttp180 -163.89 127.2 2.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.213 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 38.2 ptt85 -157.02 137.39 12.93 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 HG11 ' O ' ' A' ' 35' ' ' LYS . 59.8 t -85.4 140.49 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.049 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.516 HG21 ' H ' ' A' ' 33' ' ' LYS . 27.7 m -93.97 -41.98 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 111.748 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.516 ' H ' HG21 ' A' ' 32' ' ' VAL . 22.7 pttm -171.91 61.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.561 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.2 -22.81 27.61 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' HG11 ' A' ' 31' ' ' VAL . 14.2 mmmm -73.04 -151.25 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.149 0.5 . . . . 0.0 110.345 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.5 p -172.45 136.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.126 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -152.11 131.48 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.443 ' HB2' HD13 ' A' ' 58' ' ' LEU . 7.4 m-85 -106.48 130.32 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.143 0.497 . . . . 0.0 112.206 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.913 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 16.6 tp -65.32 139.75 58.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 26' ' ' VAL . 29.7 mt -142.22 133.41 26.17 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 7.7 tmtm? -81.72 86.03 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.524 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.61 ' HE1' HG21 ' A' ' 51' ' ' THR . 73.3 m95 -61.96 130.14 44.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.443 -178.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -66.22 142.45 57.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.308 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -42.74 2.21 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.956 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 1.9 m-85 -73.79 131.67 41.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.9 m -59.7 157.02 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -50.54 -29.84 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 15.4 pt-20 -67.49 -40.61 85.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.223 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.461 ' OD1' ' HG3' ' A' ' 48' ' ' GLU . 37.2 m-20 -77.05 33.25 0.15 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -90.2 141.13 29.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.714 0.292 . . . . 0.0 110.752 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.61 HG21 ' HE1' ' A' ' 42' ' ' TRP . 8.7 t -144.62 132.89 21.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.082 0.467 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 28' ' ' ASP . 11.1 m95 -72.9 111.13 7.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.726 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.532 ' HB3' HD22 ' A' ' 58' ' ' LEU . 86.3 tt0 -94.54 136.34 23.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.746 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.79 ' HG2' HD21 ' A' ' 57' ' ' ASN . 10.9 Cg_endo -54.73 133.99 60.24 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.457 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 44.1 tt0 -55.42 -33.07 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -50.48 -49.71 54.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.031 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.79 HD21 ' HG2' ' A' ' 54' ' ' PRO . 77.4 m-20 -73.49 -33.9 65.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.02 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 53' ' ' GLU . 24.6 mt -53.6 134.56 41.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.992 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -121.92 39.22 3.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.133 0.492 . . . . 0.0 110.247 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.699 ' HA ' HE21 ' B' ' 5' ' ' GLN . 25.0 p -131.49 59.96 49.02 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.347 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 52.8 Cg_exo -54.48 -35.88 86.6 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.473 2.115 . . . . 0.0 112.032 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 65.6 t0 -58.62 -50.86 72.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.719 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -63.91 -43.59 95.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.603 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.497 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 74.8 mt -55.14 -42.16 63.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.52 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.604 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.5 mt-10 -57.11 -43.39 82.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.5 t80 -65.62 -44.22 87.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.2 mt -64.08 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.211 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 85.0 mt-30 -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -85.89 34.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 -179.822 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.699 HE21 ' HA ' ' A' ' 60' ' ' CYS . 2.9 mm100 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.709 0.29 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.479 HG23 ' HA ' ' A' ' 22' ' ' VAL . 69.3 p 53.5 -154.32 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.196 0.522 . . . . 0.0 112.247 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.524 ' HB3' ' H ' ' B' ' 8' ' ' ARG . . . -172.56 -119.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.986 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.524 ' H ' ' HB3' ' B' ' 7' ' ' ALA . 26.5 ttt85 . . . . . 0 N--CA 1.464 0.243 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 38.8 tt0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.049 0.452 . . . . 0.0 111.652 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' HG3' ' HE ' ' B' ' 8' ' ' ARG . 49.5 mt-10 -78.52 131.32 36.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.514 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 6.6 m-85 -121.09 134.45 55.26 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 110.731 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.709 ' HA ' HG21 ' B' ' 6' ' ' THR . 0.2 OUTLIER -55.38 138.52 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.247 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.63 ' HB ' ' CZ3' ' A' ' 42' ' ' TRP . 8.3 p -134.66 138.04 50.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 111.439 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -74.08 -56.77 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.424 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.705 ' HA ' HD21 ' A' ' 63' ' ' LEU . 88.1 tttt -175.2 146.79 0.86 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 64' ' ' ILE . 23.8 m -65.49 136.03 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.61 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 2.9 mm? -90.46 -19.32 24.02 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 19.0 t70 -179.64 -150.96 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.609 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.535 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 39.6 ptt180 -168.6 138.02 2.32 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.4 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.61 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.7 ptm180 -155.57 133.34 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.086 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -84.66 129.99 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.994 0.426 . . . . 0.0 111.597 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.44 HG22 ' HG2' ' A' ' 33' ' ' LYS . 14.5 m -89.99 -124.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.615 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' HG22 ' A' ' 32' ' ' VAL . 18.4 ptpt -54.02 -24.39 16.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.139 0.495 . . . . 0.0 109.962 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.02 -25.97 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -83.75 139.3 32.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.41 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 14.4 p -85.9 133.93 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.6 pt-20 -123.26 128.93 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.776 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.673 ' HB3' HG13 ' A' ' 26' ' ' VAL . 9.9 m-85 -102.29 123.8 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.25 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.635 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 16.1 tp -57.79 147.01 29.53 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.609 HD22 ' CG1' ' A' ' 26' ' ' VAL . 97.4 mt -147.01 128.91 15.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -84.89 103.86 14.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.529 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.648 ' HH2' ' HB2' ' B' ' 7' ' ' ALA . 68.2 m95 -82.23 130.11 35.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 111.953 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.616 ' HE3' ' HB ' ' A' ' 22' ' ' VAL . 10.3 mtmp? -65.07 146.45 54.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.285 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.27 3.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -68.83 140.47 55.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.5 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 54.7 m -49.76 138.17 14.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.68 -40.05 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.036 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -56.89 -32.64 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.5 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -74.83 37.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.613 ' HB3' HD13 ' A' ' 39' ' ' LEU . 65.5 m-20 -67.67 143.25 56.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 178.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.9 m -141.23 125.11 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.69 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.461 ' CZ2' HD21 ' A' ' 39' ' ' LEU . 7.7 m95 -80.38 147.83 30.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.288 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -142.67 143.97 28.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.134 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.84 ' HG2' HD21 ' A' ' 57' ' ' ASN . 9.5 Cg_endo -52.91 132.21 46.04 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.567 2.178 . . . . 0.0 111.798 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 pt-20 -55.62 -34.41 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -52.75 -51.74 59.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.687 0.279 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.84 HD21 ' HG2' ' A' ' 54' ' ' PRO . 80.4 m-20 -70.27 -34.89 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.665 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' B' ' 7' ' ' ALA . 14.5 mt -51.42 120.51 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.032 0.444 . . . . 0.0 111.627 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.505 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.9 t70 -100.09 48.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.764 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' B' ' 5' ' ' GLN . 26.4 p -150.22 60.98 4.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.329 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.0 Cg_exo -54.46 -33.37 77.37 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.433 2.089 . . . . 0.0 112.025 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 8.8 t70 -55.98 -43.62 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.994 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.705 HD21 ' HA ' ' A' ' 25' ' ' LYS . 6.7 mp -65.89 -41.06 92.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.939 0.4 . . . . 0.0 110.215 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.676 HD12 HG12 ' A' ' 26' ' ' VAL . 45.9 mm -56.38 -45.42 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.892 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.73 -44.55 93.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 97.4 mt-10 -51.42 -41.16 60.57 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.746 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.548 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 36.3 t80 -60.16 -57.53 12.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.278 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.589 ' N ' HD11 ' A' ' 68' ' ' LEU . 6.4 mp -60.61 -25.76 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 12.2 mm100 -50.19 -49.53 52.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.7 p -65.16 -39.37 92.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.617 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.557 ' HG2' HD12 ' A' ' 63' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.911 0.386 . . . . 0.0 111.428 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.709 HG21 ' HA ' ' A' ' 22' ' ' VAL . 52.5 p -150.83 128.1 11.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.21 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.648 ' HB2' ' HH2' ' A' ' 42' ' ' TRP . . . -117.56 123.78 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.188 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.483 ' HE ' ' HG3' ' A' ' 20' ' ' GLU . 99.6 mtt180 . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.041 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 38.3 mt-10 -68.82 132.78 47.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.367 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.88 130.03 44.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.393 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.5 t -52.95 118.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.773 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.767 HG22 ' HB3' ' A' ' 40' ' ' LEU . 7.1 p -119.9 135.11 61.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.242 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.82 -54.2 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.955 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -177.55 150.35 0.68 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.323 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -69.09 137.04 25.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.185 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.603 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 97.3 mt -92.84 -45.65 7.9 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.466 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.685 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 29.5 t0 -151.3 -160.83 1.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.546 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.506 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.3 ptt85 -168.79 135.77 1.89 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.305 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 40.1 ptt85 -156.2 134.58 11.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.041 0.448 . . . . 0.0 111.644 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -75.05 147.14 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.029 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.522 HG21 ' N ' ' A' ' 33' ' ' LYS . 26.9 m -127.72 -33.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' N ' HG21 ' A' ' 32' ' ' VAL . 21.5 ptmt -164.18 51.57 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.884 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.9 5.98 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.634 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -85.88 144.78 27.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 111.015 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -107.24 105.65 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.235 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 22.7 pt-20 -89.48 129.4 35.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.611 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.501 ' HB2' HD13 ' A' ' 58' ' ' LEU . 5.8 m-85 -106.7 131.18 54.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.234 0.54 . . . . 0.0 111.968 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.803 HD13 ' HB3' ' A' ' 50' ' ' ASN . 10.7 tp -64.49 143.44 57.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.986 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.767 ' HB3' HG22 ' A' ' 23' ' ' VAL . 72.3 mt -149.96 134.12 17.15 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -91.2 141.04 29.23 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.721 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.61 ' CZ3' ' HB ' ' A' ' 23' ' ' VAL . 10.8 m95 -126.22 136.28 52.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.07 0.462 . . . . 0.0 111.736 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.633 ' HB2' ' HZ3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -60.09 147.1 40.64 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.5 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.11 -52.9 4.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.606 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.08 141.09 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.707 0.289 . . . . 0.0 110.591 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 t -50.9 143.06 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 64.3 t0 -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 50' ' ' ASN . 8.7 mp0 -58.64 -25.82 63.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.461 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -73.59 34.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.803 ' HB3' HD13 ' A' ' 39' ' ' LEU . 74.3 m-20 -72.93 141.36 47.83 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 48.4 p -129.66 128.41 42.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.517 ' CH2' ' HB3' ' A' ' 28' ' ' ASP . 10.7 m95 -80.97 108.97 15.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.591 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.642 ' HB2' HD22 ' A' ' 58' ' ' LEU . 31.0 mt-10 -100.9 150.31 36.93 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.348 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 38.4 Cg_exo -55.23 136.73 74.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.141 1.894 . . . . 0.0 111.7 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.99 -39.73 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.62 -44.91 89.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.809 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.557 ' HA ' HH21 ' B' ' 8' ' ' ARG . 3.9 m120 -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' A' ' 53' ' ' GLU . 6.3 mt -59.46 127.79 33.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 111.643 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.867 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.0 t70 -102.28 49.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.332 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.629 ' HB2' ' HG3' ' B' ' 5' ' ' GLN . 24.0 p -163.23 65.47 1.51 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.442 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.77 -27.28 42.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.756 2.304 . . . . 0.0 112.112 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 55.2 m-20 -53.29 -46.9 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.579 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 66.5 mt -61.94 -44.75 96.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.241 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.573 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 mp -52.34 -45.93 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.986 0.422 . . . . 0.0 110.471 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -68.65 -41.61 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.015 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 54.0 mt-10 -59.72 -40.39 87.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.782 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -69.26 -45.84 68.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.7 mt -63.32 -20.72 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.95 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 3.4 mm100 -48.83 -43.48 38.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.666 0.27 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.7 m -56.66 -47.28 80.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.064 0.459 . . . . 0.0 109.896 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.329 179.107 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.629 ' HG3' ' HB2' ' A' ' 60' ' ' CYS . 13.1 mp0 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.638 0.256 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.7 p -150.15 -35.33 0.16 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.867 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . 60.0 -152.63 0.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.557 HH21 ' HA ' ' A' ' 57' ' ' ASN . 84.8 mtm180 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.363 179.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.61 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 55.9 mt-10 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -79.29 76.35 5.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.892 -179.715 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.61 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 5.7 m-85 -61.09 132.75 54.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 110.567 179.256 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.509 HG22 ' NZ ' ' A' ' 43' ' ' LYS . 84.0 t -59.77 137.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' B' ' 7' ' ' ALA . 47.8 t -125.6 125.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.926 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -76.63 -46.0 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 4.9 ttmp? -174.33 140.69 0.67 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.042 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.547 ' HA ' HD21 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -67.97 130.01 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 91.6 mt -77.75 -50.72 11.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.533 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.551 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 30.9 t0 -149.58 -151.66 0.4 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.288 -0.565 . . . . 0.0 112.035 -179.323 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.521 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 42.5 ttp180 -163.97 134.67 4.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.104 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.499 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 14.6 ptm180 -156.14 147.28 22.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.725 179.014 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.486 ' HB ' ' HA ' ' A' ' 36' ' ' VAL . 8.6 p -135.96 141.3 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.607 179.307 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.88 HG22 ' HG3' ' A' ' 33' ' ' LYS . 14.3 m -119.72 -33.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.517 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.88 ' HG3' HG22 ' A' ' 32' ' ' VAL . 52.4 mttp -145.24 51.29 1.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.81 -8.31 7.92 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.571 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 33' ' ' LYS . 8.6 ptpt -89.0 43.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.759 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.486 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 7.7 p -36.32 95.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.363 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.555 ' OE1' ' HB2' ' A' ' 52' ' ' TRP . 13.8 pt-20 -89.11 126.66 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.581 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.41 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 15.0 m-85 -97.01 133.78 41.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.647 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.816 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.184 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.637 ' N ' HD21 ' A' ' 39' ' ' LEU . 94.6 mt -143.23 129.81 20.19 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.648 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 3.6 tmmm? -85.49 110.16 18.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -92.0 140.39 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.509 ' NZ ' HG22 ' A' ' 22' ' ' VAL . 62.9 pttt -62.52 146.09 52.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.274 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -43.58 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.023 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -78.84 128.77 33.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.61 172.98 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.575 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 35.5 t70 -56.57 -42.47 78.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.3 -40.32 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.37 -24.71 67.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.242 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.575 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 85.9 m-20 -45.39 145.85 1.11 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 111.45 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -144.83 130.59 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.409 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.762 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 5.4 m95 -69.32 128.89 38.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 -179.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.62 ' HB2' HD23 ' A' ' 58' ' ' LEU . 55.9 mm-40 -114.78 145.91 34.94 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.488 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.7 Cg_endo -54.66 134.61 63.24 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.44 2.093 . . . . 0.0 111.691 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 42.1 tt0 -52.7 -40.18 62.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.547 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.88 -46.87 74.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.456 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 2.8 m120 -64.4 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.96 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 53' ' ' GLU . 12.1 mt -58.7 130.09 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.654 -178.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -111.82 43.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.61 178.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.687 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 56.3 m -125.8 61.39 38.17 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.421 ' HD3' ' C ' ' A' ' 59' ' ' ASP . 50.3 Cg_exo -53.67 -42.57 65.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.36 2.04 . . . . 0.0 112.556 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -67.29 -48.72 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.405 -179.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 43.2 mt -60.47 -45.05 95.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.342 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 60' ' ' CYS . 80.0 mt -55.31 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -55.26 -38.47 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 179.063 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 17.7 tp10 -58.61 -33.5 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.42 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.465 ' HB2' HG23 ' A' ' 26' ' ' VAL . 46.1 t80 -72.67 -55.63 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.248 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD23 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -64.06 -45.23 89.7 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 28.1 mt-30 -53.51 -42.82 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.589 0.233 . . . . 0.0 111.287 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.099 0.476 . . . . 0.0 110.348 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.911 179.719 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.687 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 12.2 mm100 . . . . . 0 N--CA 1.46 0.062 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 43.6 p 59.42 141.43 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.597 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 23' ' ' VAL . . . -135.64 119.54 17.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.938 178.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 83.0 mtm180 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.302 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 5.5 tp10 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.663 0.268 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.792 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 40.7 mt-10 -81.65 117.55 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.006 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.22 131.35 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.712 179.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.403 ' HB ' ' HD2' ' A' ' 43' ' ' LYS . 51.3 t -62.11 123.07 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 111.406 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.66 128.32 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 179.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -72.68 -49.54 30.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -178.41 135.63 0.15 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.491 0.662 . . . . 0.0 111.161 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.07 125.49 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.703 HD11 HD12 ' A' ' 39' ' ' LEU . 91.2 mt -86.24 -53.4 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.602 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 55.8 t0 -155.57 146.33 22.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.383 -0.527 . . . . 0.0 112.186 -178.758 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -96.84 146.34 25.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.129 179.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.473 ' O ' HG21 ' A' ' 31' ' ' VAL . 78.0 ttt180 -153.96 161.82 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.081 0.467 . . . . 0.0 111.486 -178.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 30' ' ' ARG . 9.8 t -147.95 138.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.373 179.786 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG11 ' O ' ' A' ' 32' ' ' VAL . 6.3 p -156.61 128.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.639 179.289 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.644 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 4.9 ttmp? 61.13 37.01 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.367 0.603 . . . . 0.0 109.857 -178.793 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.83 -23.76 2.97 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.566 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.37 148.63 27.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 111.142 -179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.586 HG13 ' HE1' ' A' ' 38' ' ' TYR . 3.1 t -115.52 78.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.613 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 12.5 pt-20 -87.58 126.61 35.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.49 . . . . 0.0 111.205 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.586 ' HE1' HG13 ' A' ' 36' ' ' VAL . 25.0 m-85 -110.02 145.73 36.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.387 178.24 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.825 HD21 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -88.35 137.02 32.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.784 -179.731 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.825 ' N ' HD21 ' A' ' 39' ' ' LEU . 1.8 mm? -129.06 135.15 48.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.578 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.516 ' HB2' HD22 ' A' ' 27' ' ' LEU . 3.0 tmtp? -86.1 65.68 9.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.373 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.68 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 47.7 m95 -45.04 131.99 7.16 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 -178.522 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 14.6 ptmm? -63.25 143.69 57.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.895 -179.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.03 -40.68 1.91 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.106 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.41 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 m-85 -74.15 133.24 42.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 111.231 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -61.11 165.91 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.532 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 12.0 p-10 -53.03 -46.22 68.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.826 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.6 -37.59 87.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.408 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . 53.3 m-20 -56.32 -32.45 64.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.447 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.68 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 83.1 m-20 -45.66 143.45 1.98 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 110.926 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.473 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 5.9 t -135.88 132.58 36.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.811 -179.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.662 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 7.0 m95 -70.61 131.1 43.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.519 ' HB3' HD23 ' A' ' 58' ' ' LEU . 40.5 tt0 -126.84 136.92 29.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.073 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.624 ' HG2' HD21 ' A' ' 57' ' ' ASN . 11.5 Cg_endo -54.38 137.54 72.02 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.537 2.158 . . . . 0.0 111.957 179.763 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' CG ' ' A' ' 58' ' ' LEU . 4.8 tm-20 -51.05 -33.82 27.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.489 -179.356 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -49.75 -52.49 31.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.505 -179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.624 HD21 ' HG2' ' A' ' 54' ' ' PRO . 75.0 m-20 -75.18 -32.98 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.279 -179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.585 ' CD1' ' HB2' ' A' ' 38' ' ' TYR . 26.4 mt -50.26 156.5 0.82 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.249 0.547 . . . . 0.0 111.921 -179.074 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' B' ' 5' ' ' GLN . 56.4 m-20 -142.93 45.21 1.58 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.575 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.67 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 78.7 m -132.51 54.91 15.1 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.27 -38.75 89.52 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.234 1.956 . . . . 0.0 111.907 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -63.51 -48.13 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.8 mt -64.3 -45.32 88.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 60' ' ' CYS . 87.6 mt -53.1 -38.74 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.18 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.47 -45.65 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.273 178.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.5 -39.31 83.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.807 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.53 -46.9 85.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.197 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.37 -38.71 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.715 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 27.6 mt-30 -52.36 -38.73 59.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.352 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.0 t -56.72 -49.04 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.009 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.991 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.67 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 10.2 mm100 . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.887 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.536 ' OG1' ' HB3' ' A' ' 20' ' ' GLU . 72.6 p -119.38 -162.31 0.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.522 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -174.11 43.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.979 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.792 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 61.1 mtt-85 . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.376 179.048 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -82.19 79.32 8.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' O ' HG22 ' A' ' 23' ' ' VAL . 5.5 m-85 -60.12 140.68 56.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.608 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.741 ' HA ' HG21 ' B' ' 6' ' ' THR . 54.4 t -58.32 -39.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.474 -179.357 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 21' ' ' TYR . 21.0 t 67.07 135.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.387 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 39.3 tt0 -78.5 -60.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.56 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 5.8 ttpm? 175.73 146.91 0.09 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.594 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 38' ' ' TYR . 30.8 m -61.31 130.54 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.647 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.524 HD13 ' HG ' ' A' ' 39' ' ' LEU . 93.8 mt -86.45 -19.85 29.0 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.456 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 49.5 m-20 -160.39 -154.5 0.38 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.456 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 44.7 ttp85 -169.0 113.84 0.57 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.485 -179.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.558 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.9 ptt180 -155.86 126.91 7.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.994 178.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.909 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 13.2 p -88.41 142.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.153 0.502 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' N ' HG21 ' A' ' 31' ' ' VAL . 33.4 m -139.02 143.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.018 179.704 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.581 ' HE2' ' HZ2' ' A' ' 35' ' ' LYS . 24.4 pttm 45.24 40.74 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.522 0.514 . . . . 0.0 111.667 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.89 -26.25 6.85 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.665 0.626 . . . . 0.0 114.665 178.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.599 ' HD3' ' HB3' ' A' ' 54' ' ' PRO . 8.9 ptpp? -104.68 128.79 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.726 0.763 . . . . 0.0 111.609 -178.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.909 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 2.7 t -72.47 124.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.936 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -106.5 127.04 53.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 110.542 178.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.903 ' HB3' HG13 ' A' ' 26' ' ' VAL . 54.6 m-85 -108.97 121.84 45.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.007 179.78 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 19.5 tp -59.92 142.05 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.646 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.619 HD22 ' CG1' ' A' ' 26' ' ' VAL . 93.0 mt -144.45 130.98 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.625 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 6.0 tmtm? -80.33 75.92 7.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.273 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HZ2' ' HB2' ' A' ' 53' ' ' GLU . 56.7 m95 -52.34 124.05 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.774 -178.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -55.6 142.67 32.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.218 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.31 -43.09 2.46 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.469 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 2.5 m-85 -72.96 137.65 45.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.892 0.377 . . . . 0.0 111.306 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.41 154.95 9.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.01 -34.99 31.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.91 -38.63 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 31.0 m-20 -60.68 -18.44 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.612 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.625 ' ND2' ' HA ' ' A' ' 41' ' ' LYS . 3.0 m120 -43.11 144.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 111.43 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -146.61 130.71 17.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.447 -179.241 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.481 ' CZ3' ' HG2' ' A' ' 30' ' ' ARG . 11.2 m95 -70.34 119.53 14.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.783 179.412 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.662 ' HB3' HD22 ' A' ' 58' ' ' LEU . 20.4 tp10 -109.55 130.85 22.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.32 -179.04 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.655 ' HG2' HD21 ' A' ' 57' ' ' ASN . 11.8 Cg_endo -55.32 140.0 81.65 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.718 2.279 . . . . 0.0 112.062 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HA ' HD13 ' A' ' 58' ' ' LEU . 4.5 tm-20 -53.35 -35.28 60.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.413 -179.503 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -51.37 -49.46 61.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.655 HD21 ' HG2' ' A' ' 54' ' ' PRO . 80.6 m-20 -71.05 -36.74 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.042 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 53' ' ' GLU . 23.8 mt -52.38 129.37 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.398 -179.189 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -117.58 45.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.515 ' SG ' HD13 ' A' ' 63' ' ' LEU . 24.7 p -160.26 62.1 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.084 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . 0.462 ' HA ' HD11 ' A' ' 64' ' ' ILE . 61.9 Cg_exo -51.84 -24.94 19.81 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.15 -39.13 63.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.515 HD13 ' SG ' ' A' ' 60' ' ' CYS . 81.6 mt -69.38 -40.38 77.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.717 0.294 . . . . 0.0 110.392 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.463 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.4 mp -57.68 -47.6 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.744 179.167 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.44 -41.42 96.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.272 179.078 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -55.55 -39.32 70.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.563 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 20.1 t80 -58.09 -56.94 15.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.653 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.607 ' N ' HD11 ' A' ' 68' ' ' LEU . 5.5 mp -60.5 -42.97 97.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.496 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 73.9 mt-30 -52.65 -38.91 61.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 110.115 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.4 t -63.5 -44.15 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.076 179.155 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.168 -179.791 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.42 HE21 ' HA ' ' B' ' 5' ' ' GLN . 2.5 mm100 . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.588 0.232 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.741 HG21 ' HA ' ' A' ' 22' ' ' VAL . 37.8 p -155.98 140.73 17.06 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.581 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 58' ' ' LEU . . . -135.04 120.44 19.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.159 178.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 83.9 mtm180 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.449 -179.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 89.1 tt0 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.721 0.296 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' B' ' 6' ' ' THR . 52.4 mt-10 -74.15 135.05 42.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.571 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.43 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 7.2 m-85 -124.88 139.49 53.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.411 . . . . 0.0 111.484 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.18 144.65 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.158 179.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.7 HG22 ' HB3' ' A' ' 40' ' ' LEU . 5.9 p -153.11 128.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.479 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.78 -52.65 14.17 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HZ1' ' HG3' ' A' ' 66' ' ' GLU . 21.3 ttmm -172.96 146.11 1.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.146 -0.221 . . . . 0.0 111.507 -178.483 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.512 HG11 ' HG ' ' A' ' 40' ' ' LEU . 25.2 m -63.66 135.47 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.577 HD22 ' HB2' ' A' ' 41' ' ' LYS . 94.0 mt -76.17 -23.78 54.74 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.252 179.601 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.52 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 30.2 t0 -174.67 -145.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.52 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.52 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 74.2 ttt180 -168.47 139.89 2.7 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.094 -179.026 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.1 ptm180 -155.41 150.05 26.28 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.077 0.465 . . . . 0.0 111.964 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -121.05 127.37 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.376 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.627 HG22 ' HG2' ' A' ' 33' ' ' LYS . 33.6 m -92.87 -42.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 111.674 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.627 ' HG2' HG22 ' A' ' 32' ' ' VAL . 24.3 pttm -170.11 50.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.242 0.544 . . . . 0.0 109.77 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.25 -27.35 15.93 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -178.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -64.42 153.06 39.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.542 -0.329 . . . . 0.0 110.362 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.537 HG13 ' HE1' ' A' ' 38' ' ' TYR . 3.3 t -124.42 70.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.218 -179.335 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.1 pt-20 -88.02 131.4 34.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.088 0.47 . . . . 0.0 111.658 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.537 ' HE1' HG13 ' A' ' 36' ' ' VAL . 50.8 m-85 -113.7 144.69 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.968 179.485 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.556 ' HG ' HD11 ' A' ' 27' ' ' LEU . 21.2 tp -87.48 149.77 24.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.7 ' HB3' HG22 ' A' ' 23' ' ' VAL . 4.2 mp -148.16 137.46 22.11 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.905 -179.279 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' HD22 ' A' ' 27' ' ' LEU . 17.0 tppt? -83.72 72.62 10.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.074 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.509 ' HH2' ' HB1' ' B' ' 7' ' ' ALA . 59.2 m95 -55.33 133.44 49.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.209 0.528 . . . . 0.0 111.708 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.55 142.82 56.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.742 -179.511 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.86 -45.8 2.79 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.645 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.79 135.8 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.455 ' HB2' ' OE2' ' A' ' 48' ' ' GLU . 51.7 m -55.68 150.42 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -54.92 -39.7 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' OE2' ' HB2' ' A' ' 46' ' ' SER . 1.1 pp20? -62.41 -29.27 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.59 -29.61 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.653 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -43.48 141.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -142.76 131.47 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.952 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.7 m95 -66.79 140.89 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.786 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.693 ' HG3' HD22 ' A' ' 58' ' ' LEU . 5.1 pt-20 -141.74 141.76 23.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -178.141 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.642 ' HG2' HD21 ' A' ' 57' ' ' ASN . 10.9 Cg_endo -54.25 139.62 72.7 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.147 2.565 . . . . 0.0 112.658 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.505 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.8 tt0 -58.8 -24.67 62.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.922 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -57.95 -51.65 68.77 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.642 HD21 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -69.44 -34.43 74.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.543 -179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.693 HD22 ' HG3' ' A' ' 53' ' ' GLU . 7.7 mt -54.49 125.43 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.791 -178.477 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.804 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 32.7 t70 -107.38 44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.286 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 63' ' ' LEU . 25.0 p -164.09 60.67 0.86 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.6 -24.23 35.85 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.604 2.203 . . . . 0.0 111.877 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.595 ' HB2' ' NE2' ' B' ' 5' ' ' GLN . 1.5 m-20 -52.77 -38.58 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.582 ' CD1' HG12 ' A' ' 23' ' ' VAL . 50.7 mt -66.64 -46.35 76.06 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 179.807 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 86.3 mt -55.55 -48.12 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.494 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -66.02 -39.56 90.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.964 178.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG3' ' HZ1' ' A' ' 25' ' ' LYS . 43.3 tp10 -58.59 -42.56 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.673 179.637 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.2 t80 -63.72 -45.05 91.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.436 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 73.9 mt -65.04 -39.75 93.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.687 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.3 mm-40 -53.97 -35.92 62.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.305 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -55.4 -51.51 66.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.789 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.595 ' NE2' ' HB2' ' A' ' 62' ' ' ASP . 10.7 mm100 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.717 0.294 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.573 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 34.6 p -138.66 121.56 16.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.804 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -91.28 -15.74 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.406 ' HG3' HH11 ' B' ' 8' ' ' ARG . 46.6 ttm-85 . . . . . 0 N--CA 1.466 0.342 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.791 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.562 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.4 tt0 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 121.203 0.525 . . . . 0.0 112.295 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.537 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 1.3 mp0 -68.81 77.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.353 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -61.07 140.58 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -55.64 142.85 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.674 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.811 HG12 ' HB3' ' A' ' 40' ' ' LEU . 95.3 t -138.66 133.48 42.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.8 179.731 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.99 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.589 ' HD3' HD23 ' A' ' 63' ' ' LEU . 46.3 mmtm -156.57 144.51 19.46 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 111.489 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 67' ' ' PHE . 6.5 t -64.89 117.93 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.716 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.866 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 7.5 mp -75.22 -59.46 2.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 38.5 t70 -164.06 150.59 11.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.414 HH11 ' HG3' ' A' ' 29' ' ' ARG . 36.2 ptt85 -112.83 148.01 35.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.817 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.22 147.23 23.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.013 0.435 . . . . 0.0 112.061 -179.351 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 35' ' ' LYS . 39.0 t -108.72 133.31 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.023 178.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.534 HG21 ' N ' ' A' ' 33' ' ' LYS . 32.7 m -80.85 -37.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.941 0.401 . . . . 0.0 111.62 -179.428 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' N ' HG21 ' A' ' 32' ' ' VAL . 18.4 ptpt -165.91 -30.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.3 0.572 . . . . 0.0 110.015 -179.769 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.39 -17.47 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.426 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.503 ' C ' HG21 ' A' ' 36' ' ' VAL . 12.8 mmmm -71.95 -161.83 0.08 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.556 HG13 ' HB2' ' A' ' 55' ' ' GLU . 6.4 t -153.71 137.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.179 179.407 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 16.7 pt-20 -152.15 132.43 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.205 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 5.1 m-85 -114.37 143.92 44.11 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.615 -179.708 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.866 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.48 134.41 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.746 179.285 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.811 ' HB3' HG12 ' A' ' 23' ' ' VAL . 6.4 mp -140.87 132.41 27.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.566 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' HD13 ' A' ' 27' ' ' LEU . 48.0 tptt -79.06 107.05 11.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.466 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.6 m95 -81.18 131.79 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 111.004 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -70.56 144.6 51.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.453 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.27 -50.25 3.95 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.11 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.65 145.38 54.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.616 0.246 . . . . 0.0 110.655 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 49' ' ' ASP . 78.9 p -48.93 144.96 4.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.513 ' HB3' ' HZ2' ' A' ' 41' ' ' LYS . 27.6 m-20 -55.21 -45.29 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.406 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.83 -19.31 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.476 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 54.3 t0 -75.23 41.52 0.18 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.114 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -64.96 139.19 58.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.466 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 87.6 m -138.41 130.85 28.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.956 0.408 . . . . 0.0 111.556 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . 0.718 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 11.9 m95 -95.46 128.93 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.305 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.637 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 42.8 mt-10 -95.41 144.81 28.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.623 ' HD2' HD21 ' A' ' 57' ' ' ASN . 56.0 Cg_endo -71.15 35.14 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.565 2.177 . . . . 0.0 114.246 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.556 ' HB2' HG13 ' A' ' 36' ' ' VAL . 42.5 tt0 67.01 -35.13 0.24 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 178.611 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 54' ' ' PRO . 23.0 pt-20 -71.21 -50.83 28.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.623 HD21 ' HD2' ' A' ' 54' ' ' PRO . 77.6 m-20 -59.59 -20.29 54.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.304 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.572 ' H ' HD21 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -52.54 146.13 10.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.017 0.437 . . . . 0.0 111.373 -179.458 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.521 ' OD2' ' HG3' ' B' ' 8' ' ' ARG . 56.2 m-20 -151.55 46.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.097 179.564 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' B' ' 5' ' ' GLN . 25.4 p -145.06 62.17 8.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.537 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.86 -38.85 58.46 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.853 2.369 . . . . 0.0 112.351 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.465 ' OD2' ' HB3' ' B' ' 5' ' ' GLN . 2.2 p30 -60.3 -41.94 94.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.08 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.589 HD23 ' HD3' ' A' ' 25' ' ' LYS . 42.0 mt -70.82 -45.01 65.35 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.775 0.321 . . . . 0.0 110.695 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 64' ' ' ILE . 68.6 mt -52.98 -43.54 47.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 -179.88 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.34 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.55 -41.01 93.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 27.4 t80 -62.39 -45.43 93.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.624 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.1 mt -76.1 -37.71 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -57.54 -39.88 77.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.5 t -59.41 -49.75 76.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.297 -179.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.288 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . 0.641 ' NE2' ' H ' ' B' ' 5' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 0.0 111.311 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.545 HG21 ' O ' ' B' ' 5' ' ' GLN . 30.0 p -148.72 -157.61 0.83 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.091 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.594 ' HB2' HG22 ' A' ' 23' ' ' VAL . . . 178.66 129.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.576 179.715 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 84.9 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.929 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.946 0.403 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.4 mmt 58.77 50.92 8.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.055 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' HB ' ' H ' ' A' ' 11' ' ' GLU . 31.2 m -145.14 -147.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' H ' ' HB ' ' A' ' 10' ' ' VAL . 55.8 mt-10 -65.84 133.53 51.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.696 0.284 . . . . 0.0 111.078 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -66.2 129.27 39.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.427 HG11 ' O ' ' A' ' 13' ' ' VAL . 7.8 p -72.15 132.84 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.249 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 tt -176.07 46.69 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.003 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -176.58 140.64 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.725 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 66.44 135.59 0.02 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.307 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 39.7 tp10 -170.15 42.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.362 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' HG3' ' HA ' ' B' ' 10' ' ' SER . 8.6 mp0 -71.29 142.2 50.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.617 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.1 mt-10 -131.39 143.2 50.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.28 69.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.249 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.617 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 6.2 m-85 -61.44 138.42 58.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.688 0.28 . . . . 0.0 110.507 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG13 ' NZ ' ' A' ' 43' ' ' LYS . 45.0 t -55.81 134.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' B' ' 7' ' ' ALA . 58.3 t -117.33 131.38 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -76.79 -53.94 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp 177.87 142.64 0.1 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG1' HD22 ' A' ' 40' ' ' LEU . 2.4 m -65.81 129.7 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.542 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 5.6 mp -78.46 -42.71 29.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.792 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' HB2' ' CH2' ' A' ' 52' ' ' TRP . 55.2 m-20 -153.67 -146.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.994 0.426 . . . . 0.0 112.104 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.426 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.9 ttp85 -168.44 131.85 1.51 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.561 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.449 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.3 ptt180 -155.48 136.61 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.96 0.409 . . . . 0.0 111.434 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.7 t -106.66 143.56 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.714 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.658 HG23 ' HG3' ' A' ' 33' ' ' LYS . 3.7 p -151.2 134.29 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.228 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.658 ' HG3' HG23 ' A' ' 32' ' ' VAL . 52.9 mttm 76.05 -37.15 0.3 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.66 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 144.92 -11.65 1.88 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.689 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 18.7 ptmt -79.74 -157.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.049 0.452 . . . . 0.0 111.244 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.66 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 46.3 t -148.7 138.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.6 130.61 11.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 111.528 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -115.18 130.05 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.083 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 9.8 tp -62.24 139.81 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD22 ' CG1' ' A' ' 26' ' ' VAL . 93.4 mt -143.88 130.55 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -83.57 123.42 29.75 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.25 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 21.6 m95 -101.12 131.75 46.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.56 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 5.0 ttmp? -66.2 144.92 56.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.527 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.19 -49.19 3.73 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.781 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.09 139.54 44.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -54.49 144.14 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -55.26 -31.4 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -58.21 -30.1 66.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.42 41.66 0.25 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.714 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.407 ' HA ' HD21 ' A' ' 50' ' ' ASN . 4.9 m120 -70.52 143.09 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 111.218 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.452 ' O ' HG21 ' A' ' 51' ' ' THR . 7.0 t -158.31 121.16 3.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.204 0.526 . . . . 0.0 110.887 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.539 ' CZ2' HD21 ' A' ' 39' ' ' LEU . 10.7 m95 -77.34 112.3 13.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.483 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.715 ' HG3' ' HA ' ' B' ' 9' ' ' MLY . 50.2 mm-40 -95.25 146.11 30.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.469 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.66 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.5 Cg_endo -57.14 135.1 68.5 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.452 2.101 . . . . 0.0 111.862 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.37 -42.55 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.562 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 11.7 pt-20 -55.03 -43.42 73.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.512 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m120 -66.08 -37.67 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 53' ' ' GLU . 15.1 mt -57.53 129.01 39.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -110.9 50.0 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.745 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' HG ' ' HB1' ' B' ' 7' ' ' ALA . 25.7 p -152.4 62.32 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.018 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.07 -33.13 82.5 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.609 2.206 . . . . 0.0 112.144 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 55.8 mt -63.71 -42.95 97.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.499 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.5 mm -55.03 -54.9 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -54.9 -36.55 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.578 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 9.8 tm-20 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.3 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.9 t80 -70.61 -52.39 21.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.092 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 68' ' ' LEU . 2.1 mm? -73.07 -17.85 61.38 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 111.417 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.565 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 52.4 tt0 -58.93 -37.61 77.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.446 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 p -80.19 -45.02 18.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.933 0.397 . . . . 0.0 111.295 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -25.11 64.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.317 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 69' ' ' GLN . 14.9 ptmm? -65.95 -143.28 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.472 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.531 HG21 ' HG3' ' A' ' 72' ' ' LYS . 76.8 p 50.04 24.99 1.53 Allowed 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 176.87 -26.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 113.926 -1.488 . . . . 0.0 108.964 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.523 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 79.6 t60 -59.37 129.92 44.4 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.551 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 78' ' ' ASP . 88.9 tt0 70.52 -29.93 0.19 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.456 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 75' ' ' HIS . 67.6 p 53.82 43.95 30.23 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.893 0.378 . . . . 0.0 110.951 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.438 ' HB2' ' HG2' ' A' ' 76' ' ' GLU . 58.0 m-20 -154.01 -133.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.57 -140.97 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.597 0.236 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.976 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.714 0.292 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.631 ' HD3' ' O ' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -56.35 141.71 40.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.97 0.414 . . . . 0.0 111.285 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -66.96 129.73 40.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.542 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 179.711 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.554 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mp0 -50.43 137.43 18.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.763 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.4 p -150.04 144.14 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.466 ' HB3' HD23 ' A' ' 58' ' ' LEU . . . -136.77 127.81 27.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' B' ' 8' ' ' ARG . 69.7 mtt-85 -66.88 119.97 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.325 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.715 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.473 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.42 ' HA ' ' HG3' ' A' ' 18' ' ' GLU . 40.7 t 48.2 45.43 19.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.88 0.372 . . . . 0.0 110.832 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -60.42 -54.98 39.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.376 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.76 -142.53 30.18 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.24 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.84 -130.59 35.81 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.726 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -166.78 136.97 3.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.314 . . . . 0.0 110.613 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 136.77 87.98 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.227 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.41 -43.95 12.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.58 2.186 . . . . 0.0 112.172 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.06 -136.98 40.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.588 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.529 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.409 ' H2 ' ' HD1' ' A' ' 8' ' ' HIS . 14.8 m80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.467 0.175 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mmm 56.22 -133.82 1.43 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.772 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 11' ' ' GLU . 7.2 p -167.59 -40.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.639 0.257 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.455 ' N ' HG11 ' A' ' 10' ' ' VAL . 65.7 mm-40 64.45 134.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.619 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 5.0 tp10 -174.31 37.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.138 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.406 ' O ' HG21 ' A' ' 13' ' ' VAL . 35.3 m -78.75 139.88 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.431 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.663 ' HG ' ' HG2' ' A' ' 15' ' ' GLU . 64.8 tp -61.75 135.17 57.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.45 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.663 ' HG2' ' HG ' ' A' ' 14' ' ' LEU . 66.3 mm-40 65.36 146.92 0.03 OUTLIER 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -148.61 -39.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -56.82 138.14 53.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.684 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.703 ' HB3' ' HD2' ' B' ' 8' ' ' ARG . 50.5 mt-10 -55.24 134.92 50.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.124 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' B' ' 8' ' ' ARG . 67.8 mm-40 -149.22 133.25 17.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.453 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 56.6 mp0 -80.29 135.65 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.425 ' CD2' HH13 ' B' ' 9' ' ' MLY . 10.1 m-85 -125.43 139.05 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.504 HG12 HH13 ' B' ' 4' ' ' MLY . 39.1 t -59.08 143.81 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.516 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.75 HG22 ' HB3' ' A' ' 40' ' ' LEU . 6.4 p -143.13 133.14 21.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.059 0.457 . . . . 0.0 111.296 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -78.33 -54.23 6.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.141 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 87.1 tttt -172.62 146.04 1.63 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.676 0.274 . . . . 0.0 111.437 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.638 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 20.4 m -68.22 137.14 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 111.704 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.586 HD11 ' HG ' ' A' ' 39' ' ' LEU . 5.5 mp -83.52 -23.76 31.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.843 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.3 t70 179.95 -149.35 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.832 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.53 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.7 ptt180 -168.67 142.37 3.06 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.5 ptm180 -155.11 128.87 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.024 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 23.0 t -78.13 142.26 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.299 0.571 . . . . 0.0 111.742 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG23 ' OE1' ' A' ' 37' ' ' GLU . 34.9 m -147.07 135.39 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.016 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.489 ' NZ ' ' HD2' ' A' ' 35' ' ' LYS . 22.5 pttp 44.28 37.62 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.857 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.99 -32.42 4.34 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.826 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.489 ' HD2' ' NZ ' ' A' ' 33' ' ' LYS . 63.6 mttp -90.47 131.06 36.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 112.0 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 12.1 p -81.58 140.87 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.435 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.553 ' OE1' HG23 ' A' ' 32' ' ' VAL . 12.7 pt-20 -128.82 127.63 42.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.454 ' HB3' HG13 ' A' ' 26' ' ' VAL . 7.8 m-85 -100.21 143.89 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.723 HD11 ' H ' ' A' ' 40' ' ' LEU . 8.3 tp -82.94 142.64 31.26 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.75 ' HB3' HG22 ' A' ' 23' ' ' VAL . 6.5 mp -134.34 131.64 38.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -77.11 74.49 3.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.687 ' HH2' ' HB1' ' B' ' 7' ' ' ALA . 67.4 m95 -56.09 124.52 18.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 0.0 111.529 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -65.16 141.62 58.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.554 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.73 -43.06 2.33 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.282 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.431 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 1.5 m-85 -69.19 138.17 53.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -56.82 152.97 11.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -51.95 -45.33 64.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.716 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.37 -34.25 77.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.431 ' OD1' ' HD2' ' A' ' 45' ' ' PHE . 9.8 t70 -62.0 -25.72 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.401 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.657 ' HB3' HD13 ' A' ' 39' ' ' LEU . 77.1 m-20 -42.83 136.06 2.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.959 0.409 . . . . 0.0 110.723 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.3 m -131.29 146.85 52.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.892 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.551 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.4 m95 -89.77 122.78 33.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.488 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.641 ' HB2' HD22 ' A' ' 58' ' ' LEU . 11.7 mp0 -106.96 151.75 40.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.959 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 36.1 Cg_exo -56.88 133.04 55.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.163 1.908 . . . . 0.0 111.428 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.009 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.58 -44.2 87.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.423 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 4.1 m120 -64.06 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.751 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.641 HD22 ' HB2' ' A' ' 53' ' ' GLU . 11.9 mt -54.37 128.77 33.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.061 0.457 . . . . 0.0 111.961 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' B' ' 6' ' ' THR . 62.9 t0 -107.54 44.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.746 ' HB2' HD11 ' A' ' 63' ' ' LEU . 26.2 p -149.43 61.62 5.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.838 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.97 -29.16 26.39 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 36.6 t70 -57.06 -45.89 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.557 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.746 HD11 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -67.16 -46.78 72.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.712 0.291 . . . . 0.0 111.228 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.575 ' O ' HD12 ' A' ' 68' ' ' LEU . 69.4 mt -55.12 -39.99 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.991 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.97 79.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.584 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 69.5 mm-40 -60.55 -42.23 96.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.264 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.584 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 37.8 t80 -56.4 -53.66 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.649 ' N ' HD11 ' A' ' 68' ' ' LEU . 4.5 mp -67.44 -37.64 83.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.216 0.531 . . . . 0.0 109.976 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -55.36 -37.43 67.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.661 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.3 m -66.22 -46.4 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.045 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -76.25 29.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.35 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -82.44 126.17 31.91 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.6 m 55.71 33.42 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.388 0.613 . . . . 0.0 109.871 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.445 ' O ' ' HB3' ' A' ' 75' ' ' HIS . . . 53.47 40.82 31.91 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.588 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' A' ' 74' ' ' ALA . 78.3 t60 72.49 -37.74 0.4 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.897 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 74' ' ' ALA . 17.5 tp10 -54.79 137.66 44.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.897 0.379 . . . . 0.0 111.07 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.1 p -145.52 43.23 1.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -63.33 -43.03 98.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -172.17 47.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.478 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.5 m . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.968 -179.904 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.783 0.325 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -64.5 -49.1 72.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 80.0 p 48.22 49.4 17.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.433 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.504 HH13 HG12 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.508 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -59.57 129.26 41.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.928 -179.281 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.491 HG21 ' HA ' ' A' ' 22' ' ' VAL . 25.0 p -158.13 152.05 23.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.395 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.687 ' HB1' ' HH2' ' A' ' 42' ' ' TRP . . . -147.28 131.6 17.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.703 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 52.5 mtm-85 -81.3 140.75 34.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.747 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.577 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.333 -0.151 0 CA-C-O 120.957 0.408 . . . . 0.0 110.291 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 97.2 p -179.96 136.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.873 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.476 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 70.5 p -51.83 120.36 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.3 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.62 136.9 36.53 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.401 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.28 -123.02 26.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.334 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -164.53 47.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.71 138.34 70.27 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.048 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.63 136.54 64.94 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.593 2.195 . . . . 0.0 112.55 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.69 133.18 2.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.402 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.598 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.521 0.2 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.422 ' HE1' ' HB3' ' A' ' 9' ' ' MET . 85.9 mtp -62.49 125.88 25.42 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 m -78.63 139.87 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.4 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -170.58 120.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 179.85 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.207 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t 68.75 126.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.973 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 31.6 tp -175.13 52.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.392 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -55.46 -43.98 75.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.541 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 54.39 -146.53 0.55 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.807 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -86.84 -144.12 0.11 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.857 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.786 ' HB3' ' HG2' ' B' ' 8' ' ' ARG . 55.9 mt-10 -69.8 142.48 53.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.184 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -145.25 137.3 25.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.051 0.453 . . . . 0.0 111.07 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HB3' ' HG1' ' B' ' 6' ' ' THR . 50.3 mt-10 -74.82 66.34 1.5 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.285 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -62.7 139.28 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.562 HG11 ' N ' ' A' ' 23' ' ' VAL . 84.4 t -58.33 143.67 12.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.566 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.562 ' N ' HG11 ' A' ' 22' ' ' VAL . 60.0 t -135.74 125.31 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.254 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -78.74 -47.61 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.866 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.633 ' HA ' HD12 ' A' ' 63' ' ' LEU . 52.2 tptt -175.47 138.38 0.4 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.369 0.604 . . . . 0.0 111.744 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.489 ' H ' ' HD2' ' A' ' 25' ' ' LYS . 1.3 t -59.83 131.46 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.6 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 91.8 mt -88.83 -37.84 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 29.7 t0 -175.76 -157.89 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.646 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.512 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 37.8 ptt180 -169.14 144.73 3.27 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.6 ptt180 -155.02 129.72 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.8 t -73.62 135.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.051 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.5 t -88.84 -42.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -170.62 -15.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.012 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.36 -36.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.932 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.629 ' C ' HG21 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -88.49 -159.96 0.6 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.629 HG21 ' C ' ' A' ' 35' ' ' LYS . 1.8 t -150.12 109.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.66 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.1 pt-20 -88.82 126.06 35.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.505 ' HE1' ' HB ' ' A' ' 36' ' ' VAL . 8.5 m-85 -106.47 129.99 54.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.439 . . . . 0.0 111.778 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.624 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 26.1 tp -72.15 145.76 47.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.449 HD13 ' OE2' ' A' ' 53' ' ' GLU . 82.2 mt -144.07 132.65 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.226 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.527 ' HE2' HD12 ' A' ' 27' ' ' LEU . 17.3 tppt? -83.06 66.55 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.097 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 42.2 m95 -47.54 132.92 13.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.44 140.72 58.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.38 -38.15 2.05 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.85 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.9 m-85 -72.0 132.76 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.216 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.5 ' HB3' ' OD1' ' A' ' 49' ' ' ASP . 47.3 t -65.98 162.9 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.781 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.46 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 63.7 t0 -50.95 -42.35 59.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.39 -36.55 84.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.5 ' OD1' ' HB3' ' A' ' 46' ' ' SER . 1.3 m-20 -59.48 -29.31 67.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.793 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.516 ' HB3' HD13 ' A' ' 39' ' ' LEU . 85.2 m-20 -47.52 145.77 2.43 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.91 0.386 . . . . 0.0 111.197 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 t -154.03 146.77 24.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.543 ' HB2' ' OE1' ' A' ' 37' ' ' GLU . 5.2 m95 -88.77 144.9 25.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.229 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.556 ' HB2' ' HB3' ' B' ' 10' ' ' SER . 4.3 pm0 -151.27 151.61 29.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.297 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HG2' HD21 ' A' ' 57' ' ' ASN . 6.7 Cg_endo -48.09 135.47 24.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.062 2.508 . . . . 0.0 112.545 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -59.37 -33.61 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.447 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.78 -51.73 9.14 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.365 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.617 ' HB3' ' HB2' ' B' ' 8' ' ' ARG . 75.8 m-80 -67.87 -38.46 83.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' B' ' 7' ' ' ALA . 12.1 mt -58.73 126.66 28.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.875 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.95 46.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.597 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.549 ' O ' HG13 ' A' ' 64' ' ' ILE . 26.7 p -122.8 56.78 8.95 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.794 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.69 -36.45 91.9 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.144 1.896 . . . . 0.0 111.812 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.29 -48.0 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.391 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 25' ' ' LYS . 21.4 mt -66.7 -41.95 87.21 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.873 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 60' ' ' CYS . 82.1 mt -55.53 -41.73 65.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 110.066 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.564 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -62.83 -46.09 89.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.226 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 95.3 mt-10 -60.66 -37.59 82.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.54 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -62.27 -48.97 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.303 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 60.4 mt -64.46 -34.61 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.776 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.564 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 74.7 mt-30 -51.36 -35.37 38.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.286 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.2 t -55.73 -52.54 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.624 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 18.6 mt-30 -91.36 111.87 23.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.642 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -179.47 125.75 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.097 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 73' ' ' THR . 9.2 m 46.98 31.14 1.43 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.275 0.559 . . . . 0.0 110.769 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 178.35 -43.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.452 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 16.2 m80 57.45 -129.03 1.66 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.73 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -164.39 -44.96 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -67.09 -47.06 72.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.846 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 79' ' ' LYS . 50.6 t0 55.55 -133.38 1.59 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.517 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.485 ' HD3' ' O ' ' A' ' 79' ' ' LYS . 11.3 tmtt? -174.8 -47.71 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.781 0.325 . . . . 0.0 110.133 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.023 179.755 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.444 HH11 ' HG3' ' B' ' 2' ' ' ARG . 52.3 mtm-85 -65.61 -47.12 76.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -66.2 124.79 23.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.203 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.006 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.562 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 4.0 tp-100 -168.13 149.34 5.12 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.467 ' HG1' ' HB3' ' A' ' 20' ' ' GLU . 69.2 p -132.68 154.55 50.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.665 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -162.06 132.31 4.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.69 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.786 ' HG2' ' HB3' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -66.32 136.81 56.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.713 0.292 . . . . 0.0 110.947 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.614 ' HZ1' ' HB2' ' B' ' 9' ' ' MLY . . . . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.127 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.556 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 83.6 p 52.93 43.0 32.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.599 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.503 HG21 ' HG2' ' B' ' 9' ' ' MLY . 71.0 p -72.48 -53.01 13.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.767 0.318 . . . . 0.0 111.328 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.89 132.74 0.06 OUTLIER Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.534 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.43 57.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.623 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' B' ' 14' ' ' LYS . 27.3 tptp -155.01 49.63 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.099 0.476 . . . . 0.0 110.834 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.458 ' N ' ' HD3' ' B' ' 16' ' ' PRO . . . 53.84 58.55 12.85 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.543 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' B' ' 15' ' ' ALA . 44.7 Cg_exo -56.52 134.72 66.14 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.437 2.092 . . . . 0.0 112.286 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.33 -135.38 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.752 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.502 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.471 ' HD2' ' H ' ' A' ' 9' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.471 ' H ' ' HD2' ' A' ' 8' ' ' HIS . 26.8 ptt? 40.65 46.37 2.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.62 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.42 -47.92 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 56.74 49.29 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 110.368 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -59.86 139.75 57.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.114 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.98 133.51 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.5 mt -81.49 44.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.46 -135.33 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -161.34 37.04 0.14 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.019 0.437 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -72.62 -29.76 63.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.772 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.885 ' HG2' ' HA ' ' B' ' 11' ' ' THR . 35.7 mt-10 -49.09 127.89 15.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.413 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -89.97 138.31 31.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.45 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.503 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 94.2 mt-10 -79.7 136.34 36.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -122.82 136.96 55.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.561 ' HB ' ' HD2' ' A' ' 43' ' ' LYS . 38.3 t -55.23 140.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.764 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' B' ' 7' ' ' ALA . 58.9 t -139.88 129.09 28.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.487 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 89.1 tt0 -82.95 -58.81 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.587 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 5.0 mmmp? -159.39 139.55 11.97 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.264 0.555 . . . . 0.0 111.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.41 ' CG2' HD22 ' A' ' 40' ' ' LEU . 1.2 t -60.43 128.67 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.917 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD2' ' HB2' ' A' ' 41' ' ' LYS . 86.2 mt -84.64 -39.11 19.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.025 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.471 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 45.4 m-20 -161.3 -153.06 0.28 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.361 0.6 . . . . 0.0 112.54 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.641 HH11 HD23 ' A' ' 68' ' ' LEU . 68.6 ttt180 -168.44 134.58 1.87 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.018 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.526 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 8.9 ptp180 -154.77 142.23 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 111.859 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG23 HG23 ' A' ' 36' ' ' VAL . 13.3 t -114.12 137.81 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.974 177.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.5 p -161.94 132.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.167 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 32' ' ' VAL . 24.4 ttmm 71.64 20.77 4.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.321 0.582 . . . . 0.0 109.463 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.26 -19.43 13.45 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.026 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.622 ' HZ3' ' HB2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -87.12 155.34 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.068 0.461 . . . . 0.0 110.98 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 22.0 t -108.14 141.24 23.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.049 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -148.61 132.61 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.04 0.448 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.514 ' HE1' HG13 ' A' ' 36' ' ' VAL . 15.3 m-85 -111.75 135.47 52.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.709 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.451 HD13 ' HB3' ' A' ' 50' ' ' ASN . 29.6 tp -74.52 147.54 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 HD22 ' CG2' ' A' ' 26' ' ' VAL . 90.7 mt -142.7 135.47 28.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 23.4 tptm -84.3 69.19 10.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.225 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.677 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 27.2 m95 -51.35 137.96 22.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.261 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.561 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -59.22 135.14 57.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.364 -179.412 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.76 -34.07 1.42 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.712 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.677 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.3 m-85 -72.35 128.49 35.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 111.369 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -78.52 -166.02 0.8 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.616 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 1.5 m-20 -61.33 -50.32 73.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.27 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.89 -42.14 99.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.458 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 1.3 m-20 -60.43 -33.77 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.793 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.616 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 82.0 m-20 -51.24 145.29 8.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.958 0.409 . . . . 0.0 111.31 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.631 HG23 HH22 ' B' ' 9' ' ' MLY . 7.8 t -145.52 131.36 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.763 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.526 ' CE3' ' HG2' ' A' ' 30' ' ' ARG . 9.4 m95 -72.52 126.47 29.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.477 ' HG2' ' HZ2' ' A' ' 42' ' ' TRP . 67.3 mm-40 -106.16 143.25 26.55 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.31 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.606 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 35.8 Cg_exo -58.42 142.92 98.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.328 2.019 . . . . 0.0 111.859 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' O ' HD13 ' A' ' 58' ' ' LEU . 88.3 tt0 -49.24 -38.21 25.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.622 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -73.95 -44.14 55.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.611 HD21 ' HA ' ' B' ' 10' ' ' SER . 4.8 m120 -59.54 -60.62 3.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 54' ' ' PRO . 2.4 pp -57.14 144.75 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.042 0.449 . . . . 0.0 111.81 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.719 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 39.0 t70 -114.49 53.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.529 ' O ' HG13 ' A' ' 64' ' ' ILE . 62.7 m -128.11 58.24 32.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.474 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 31.9 Cg_exo -58.34 -42.62 54.05 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.393 2.062 . . . . 0.0 112.39 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.579 ' H ' HE22 ' B' ' 5' ' ' GLN . 1.3 m-20 -60.09 -43.6 95.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.405 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.468 HD23 ' HD2' ' A' ' 25' ' ' LYS . 48.0 mt -68.4 -40.31 81.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.599 HD13 HD12 ' A' ' 58' ' ' LEU . 92.1 mt -57.56 -46.92 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.57 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.97 -42.66 84.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.276 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.572 ' OE1' ' HE2' ' A' ' 25' ' ' LYS . 39.8 tt0 -60.41 -36.41 78.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.406 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.2 t80 -64.63 -49.45 71.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.053 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.641 HD23 HH11 ' A' ' 29' ' ' ARG . 68.2 mt -61.51 -33.74 74.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.463 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 87.1 mt-30 -52.7 -39.26 61.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.489 ' C ' ' H ' ' A' ' 72' ' ' LYS . 55.3 m -64.84 -36.01 82.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.762 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 95.7 mm-40 -72.79 22.15 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.619 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.489 ' H ' ' C ' ' A' ' 70' ' ' SER . 56.3 tttm -82.04 -126.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.599 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.419 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 85.9 m -58.64 -50.62 73.17 Favored 'General case' 0 C--O 1.231 0.132 0 CA-C-O 120.792 0.329 . . . . 0.0 110.929 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 76' ' ' GLU . . . -63.66 -53.37 52.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.762 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 24.0 t-80 57.83 -79.93 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.666 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 74' ' ' ALA . 16.5 pt-20 -56.24 145.4 26.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.36 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 t -168.04 140.2 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.067 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 61.74 52.31 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -58.11 136.26 57.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.071 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.064 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.714 0.292 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.409 ' HG2' HH11 ' B' ' 2' ' ' ARG . 52.0 ttp85 -171.2 -45.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.992 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.498 HG23 ' H ' ' B' ' 4' ' ' MLY . 3.3 m -159.94 -134.82 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.259 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.539 ' HD2' ' N ' ' B' ' 4' ' ' MLY . . . . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.579 HE22 ' H ' ' A' ' 62' ' ' ASP . 81.4 mt-30 -72.77 138.01 46.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.065 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.614 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 67.2 p -104.72 124.23 49.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.719 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -97.28 135.71 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.903 0.382 . . . . 0.0 110.738 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.536 ' HD3' ' HB2' ' A' ' 18' ' ' GLU . 65.2 mtt-85 -65.76 141.23 58.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.604 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.631 HH22 HG23 ' A' ' 51' ' ' THR . . . . . . . . 0 CA--C 1.532 0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.221 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.611 ' HA ' HD21 ' A' ' 57' ' ' ASN . 84.8 p 47.84 75.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.508 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.885 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 72.7 p 53.85 56.27 7.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.573 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.5 142.7 32.75 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.446 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 137.61 1.75 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.47 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.59 -49.29 78.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.678 0.275 . . . . 0.0 111.073 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.517 ' H ' ' HD2' ' B' ' 16' ' ' PRO . . . -175.97 -50.08 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.635 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.517 ' HD2' ' H ' ' B' ' 15' ' ' ALA . 80.1 Cg_endo -76.88 39.33 0.7 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.167 1.911 . . . . 0.0 112.577 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.41 -45.58 84.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.449 -1.195 . . . . 0.0 112.613 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.8 t60 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.716 0.293 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -58.64 132.69 54.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.1 m -151.09 -142.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.658 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 64.55 137.43 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.917 0.389 . . . . 0.0 111.414 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -172.36 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.782 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.65 131.82 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 34.1 tp -176.25 42.89 0.01 OUTLIER 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.332 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.55 135.06 48.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.06 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -62.04 -34.47 76.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.731 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -52.09 147.29 7.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.774 ' HA ' ' HB ' ' B' ' 11' ' ' THR . 83.9 mt-10 -51.56 125.28 14.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.143 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.459 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.2 mt-10 -90.88 135.7 33.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.788 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.466 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -76.62 130.22 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.459 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 4.7 m-85 -116.18 140.55 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.803 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.457 HG22 ' NZ ' ' A' ' 43' ' ' LYS . 57.0 t -57.43 135.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.32 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.652 HG12 ' HB3' ' A' ' 40' ' ' LEU . 65.6 t -118.33 133.48 65.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 38.3 tt0 -77.2 -53.78 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' HD13 ' A' ' 27' ' ' LEU . 38.9 ttpt -178.29 135.89 0.16 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.232 0.539 . . . . 0.0 111.214 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.12 132.61 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.106 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.647 HD11 ' HG ' ' A' ' 39' ' ' LEU . 4.9 mp -91.79 -37.42 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.93 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.7 t70 179.56 159.84 0.74 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.475 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 8.0 ptm180 -96.89 162.46 13.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.546 ' O ' ' HA ' ' A' ' 36' ' ' VAL . 74.1 ttt180 -153.68 162.06 41.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.798 0.333 . . . . 0.0 111.591 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 30' ' ' ARG . 73.4 t -147.56 139.03 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.404 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG21 ' N ' ' A' ' 33' ' ' LYS . 27.3 m -105.51 -42.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' N ' HG21 ' A' ' 32' ' ' VAL . 24.2 pttm -167.9 48.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.452 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.72 -33.87 5.28 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.71 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -70.86 -155.78 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.296 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 55' ' ' GLU . 11.0 p -171.78 130.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.58 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.54 ' HG3' ' HB3' ' A' ' 30' ' ' ARG . 13.9 pt-20 -130.32 126.42 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.192 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.48 ' O ' HD23 ' A' ' 40' ' ' LEU . 41.9 m-85 -100.05 148.65 24.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.663 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.786 HD11 ' H ' ' A' ' 40' ' ' LEU . 8.9 tp -90.62 140.77 29.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.786 ' H ' HD11 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -131.92 136.09 47.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.37 -179.417 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 2.9 tmtp? -85.51 70.63 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.68 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 40.7 m95 -49.53 136.2 17.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.658 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' NZ ' HG22 ' A' ' 22' ' ' VAL . 64.7 pttt -69.18 150.84 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.45 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.43 -40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.987 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.64 ' HD2' ' HB3' ' A' ' 49' ' ' ASP . 17.5 m-85 -77.09 -140.1 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.41 -0.116 . . . . 0.0 110.979 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.412 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 80.6 p -165.16 -166.02 0.96 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.604 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.1 m-20 -65.67 -46.91 77.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.674 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.1 pt-20 -68.51 -36.84 79.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.278 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.64 ' HB3' ' HD2' ' A' ' 45' ' ' PHE . 1.4 m-20 -71.45 -38.69 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.68 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 20.4 p30 -51.15 147.96 4.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 111.876 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.479 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 8.4 t -138.2 152.97 49.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.469 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.516 ' CZ3' ' HB2' ' A' ' 30' ' ' ARG . 6.5 m95 -86.75 128.71 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.433 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' B' ' 8' ' ' ARG . 15.2 mp0 -110.54 142.47 26.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.6 Cg_exo -61.58 147.09 96.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.492 2.128 . . . . 0.0 111.487 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.566 ' HB2' HG12 ' A' ' 36' ' ' VAL . 41.7 tt0 -48.9 -36.47 17.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.218 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.26 -43.5 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.552 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.426 HD21 ' HA ' ' B' ' 10' ' ' SER . 5.6 m120 -62.7 -54.35 40.57 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.504 HD11 ' C ' ' A' ' 58' ' ' LEU . 3.3 pp -62.65 -167.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.908 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -172.07 56.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.226 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' HG13 ' A' ' 64' ' ' ILE . 26.0 p -135.73 58.37 23.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.134 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 51.4 Cg_exo -54.3 -38.62 88.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.598 2.198 . . . . 0.0 112.449 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.499 ' H ' ' NE2' ' B' ' 5' ' ' GLN . 1.5 m-20 -58.29 -46.61 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.03 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.528 ' HG ' ' HG3' ' B' ' 5' ' ' GLN . 25.9 mt -67.23 -41.53 85.53 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.903 0.382 . . . . 0.0 110.153 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 60' ' ' CYS . 81.9 mt -56.66 -40.54 70.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.169 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -67.94 -44.09 77.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.7 mt-10 -57.89 -35.55 71.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.459 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 28' ' ' ASP . 31.7 t80 -60.85 -49.93 75.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.155 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 58.7 mt -64.77 -39.94 94.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.495 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 26.5 mt-30 -54.99 -39.37 68.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.401 . . . . 0.0 110.713 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 75' ' ' HIS . 53.2 m -58.37 -44.62 88.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.86 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -69.75 -29.25 66.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.576 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 32.2 mmmt -50.7 126.66 16.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.58 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.445 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 17.4 m 53.02 42.41 32.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.162 0.506 . . . . 0.0 109.806 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.718 ' HB2' ' HD1' ' A' ' 75' ' ' HIS . . . 71.88 -62.99 0.44 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.187 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.718 ' HD1' ' HB2' ' A' ' 74' ' ' ALA . 19.8 p-80 179.69 -147.06 0.02 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.691 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.555 ' HG2' ' H ' ' A' ' 77' ' ' THR . 29.0 tt0 -174.87 -132.12 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.555 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 64.1 p 47.47 -140.66 0.55 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.516 0.198 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.01 140.08 58.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.709 0.29 . . . . 0.0 110.446 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 12.4 mptt -56.06 -53.6 55.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.047 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 86.8 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.246 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' B' ' 3' ' ' THR . 38.0 ptt180 -67.79 -51.24 51.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' B' ' 2' ' ' ARG . 87.9 m -93.59 137.92 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.328 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.653 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.528 ' HG3' ' HG ' ' A' ' 63' ' ' LEU . 8.5 mm100 61.79 135.97 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.234 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.507 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 42.3 p -153.19 119.61 5.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.892 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.37 127.54 47.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.886 0.374 . . . . 0.0 110.67 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 41.1 mtt85 -72.88 127.66 33.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.121 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.426 ' HG2' ' OE2' ' A' ' 53' ' ' GLU . . . . . . . . 0 CA--C 1.533 0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.029 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.426 ' HA ' HD21 ' A' ' 57' ' ' ASN . 48.4 t 45.79 46.26 11.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.593 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.774 ' HB ' ' HA ' ' A' ' 18' ' ' GLU . 73.1 m -58.91 -52.47 65.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 110.589 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.464 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -81.02 -132.43 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.397 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.39 42.81 99.0 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.835 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.32 128.92 38.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.581 0.229 . . . . 0.0 110.657 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.96 140.68 0.57 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.232 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -60.95 -45.08 21.43 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.663 2.242 . . . . 0.0 112.229 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.86 -45.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.552 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.333 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.8 t60 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.1 ptm -64.64 134.71 54.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.8 t -62.91 139.4 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.168 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.55 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 14.4 tp10 -69.14 -132.38 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.55 ' H ' ' HG3' ' A' ' 11' ' ' GLU . 95.8 mt-10 -73.97 -152.48 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.563 0.221 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t 62.19 129.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.059 0.457 . . . . 0.0 111.486 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -69.45 124.12 23.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.71 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' HA ' ' OE2' ' A' ' 17' ' ' GLU . 22.2 pt-20 -78.65 -137.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 66.25 40.04 3.93 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.956 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 15' ' ' GLU . 58.2 mp0 -93.39 -146.23 0.24 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.595 ' HB3' ' HD3' ' B' ' 8' ' ' ARG . 51.1 mt-10 54.04 48.19 21.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.606 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.487 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 96.1 mt-10 -80.5 134.96 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 111.207 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB3' ' HG1' ' B' ' 6' ' ' THR . 41.7 mt-10 -77.95 134.59 37.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.487 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 10.2 m-85 -127.05 136.94 52.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.836 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.441 ' HA ' HG21 ' B' ' 6' ' ' THR . 61.9 t -57.77 138.37 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.72 HG12 ' HB3' ' A' ' 40' ' ' LEU . 25.5 t -133.08 135.72 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.59 -54.91 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.002 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.784 ' HA ' HD21 ' A' ' 63' ' ' LEU . 38.1 ttpt -177.24 142.78 0.36 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.143 0.496 . . . . 0.0 112.171 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.582 HG13 ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -64.17 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.2 mm? -94.36 -43.12 8.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.543 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.2 m-20 -157.59 -148.73 0.21 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 64.7 ttt180 -167.99 131.54 1.63 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.905 -179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.475 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 41.2 ptt180 -155.98 139.74 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -102.51 128.51 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.735 HG22 ' HG2' ' A' ' 33' ' ' LYS . 35.8 m -93.64 -40.64 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 111.698 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.735 ' HG2' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -171.52 55.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.739 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.95 26.46 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' HB2' HG21 ' A' ' 32' ' ' VAL . 30.0 mmmt -67.11 155.14 39.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.628 HG11 ' HE1' ' A' ' 38' ' ' TYR . 14.8 t -128.1 61.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 24.5 pt-20 -87.78 129.44 35.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.232 0.539 . . . . 0.0 112.027 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.628 ' HE1' HG11 ' A' ' 36' ' ' VAL . 6.5 m-85 -105.04 151.93 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.545 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 14.4 tp -85.05 139.87 31.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.72 ' HB3' HG12 ' A' ' 23' ' ' VAL . 5.3 mp -150.88 134.57 16.47 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.591 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -81.48 124.86 29.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.57 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 18.1 m95 -99.57 136.15 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.555 . . . . 0.0 112.395 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.56 151.02 48.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.461 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 -52.4 4.45 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.666 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.01 -121.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.24 . . . . 0.0 110.76 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.2 p -156.91 149.55 23.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.707 0.289 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.591 ' HA ' ' HG2' ' A' ' 41' ' ' LYS . 19.1 m-20 -47.87 -48.13 31.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.59 -39.73 74.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.504 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.83 36.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.477 ' CG ' HD13 ' A' ' 39' ' ' LEU . 23.3 p30 -84.1 141.14 31.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.669 0.271 . . . . 0.0 110.607 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.509 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.4 t -132.06 132.91 43.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.342 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.525 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 8.8 m95 -72.73 124.77 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 4.1 mm-40 -112.08 144.07 30.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HD2' ' HG ' ' B' ' 10' ' ' SER . 9.4 Cg_endo -53.05 137.66 62.39 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.561 2.174 . . . . 0.0 112.015 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 15.7 tp10 -55.13 -40.08 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -55.19 -42.79 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' B' ' 10' ' ' SER . 4.5 m120 -69.11 -39.26 79.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.494 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.848 HD21 ' HB2' ' B' ' 7' ' ' ALA . 12.5 mt -53.17 135.49 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.514 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.642 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 34.1 t70 -130.48 47.29 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.8 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.621 ' SG ' HD13 ' A' ' 63' ' ' LEU . 21.9 p -149.08 64.28 7.34 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.061 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.467 ' HA ' HD11 ' A' ' 64' ' ' ILE . 75.2 Cg_exo -49.66 -23.42 8.09 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.61 2.207 . . . . 0.0 111.979 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.6 m-20 -55.81 -46.35 78.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.058 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.784 HD21 ' HA ' ' A' ' 25' ' ' LYS . 40.1 mt -64.52 -44.3 91.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.961 0.41 . . . . 0.0 110.084 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.506 ' O ' HD11 ' A' ' 68' ' ' LEU . 71.6 mt -54.79 -43.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.28 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.589 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.97 -42.19 90.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.757 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.673 ' HA ' HE21 ' A' ' 69' ' ' GLN . 55.4 mt-10 -57.42 -38.61 74.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.709 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.582 ' HB2' HG13 ' A' ' 26' ' ' VAL . 29.7 t80 -62.49 -58.9 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.656 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.702 HD11 ' H ' ' A' ' 68' ' ' LEU . 6.4 mp -63.08 -19.66 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.673 HE21 ' HA ' ' A' ' 66' ' ' GLU . 66.8 mt-30 -48.95 -38.77 23.98 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.164 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -72.46 -37.89 68.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.005 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.23 -9.96 13.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.224 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -41.99 -40.78 2.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.933 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -171.51 50.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.037 0.446 . . . . 0.0 110.965 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.04 66.6 0.88 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.642 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -41.91 -43.55 3.11 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.957 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -174.03 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.733 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 t -179.31 133.91 0.12 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -64.54 131.79 48.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -81.14 42.83 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.889 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.893 0.377 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -59.94 131.06 49.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.155 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.2 t 37.36 43.84 0.42 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.052 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.407 ' HG2' HG22 ' B' ' 6' ' ' THR . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.442 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 3.1 pt20 -78.41 125.14 28.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.556 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 69.2 p -153.14 126.33 8.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.348 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.848 ' HB2' HD21 ' A' ' 58' ' ' LEU . . . -109.61 125.3 52.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.595 ' HD3' ' HB3' ' A' ' 18' ' ' GLU . 99.1 mtt180 -59.71 135.07 57.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.427 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.659 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.469 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 70.7 m 60.55 62.48 1.52 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.765 0.317 . . . . 0.0 111.38 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 18' ' ' GLU . 71.3 p 53.6 47.18 24.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.734 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.18 46.89 93.41 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.543 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.97 -133.0 1.62 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -150.18 -38.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.595 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.77 55.56 4.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.48 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.51 132.71 27.92 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.356 2.037 . . . . 0.0 112.179 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.86 -47.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.569 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.532 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.1 m170 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.457 0.17 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.52 ' HG2' HG21 ' A' ' 10' ' ' VAL . 43.1 ttp -172.12 -124.11 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 9' ' ' MET . 51.0 t -69.0 -45.12 80.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.685 0.279 . . . . 0.0 111.348 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -171.4 140.9 1.48 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.013 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 9.8 pm0 -57.39 -41.82 81.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.728 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.492 ' N ' ' HG2' ' A' ' 12' ' ' GLU . 10.0 p 51.5 135.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.883 0.873 . . . . 0.0 112.933 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' H ' HD22 ' A' ' 14' ' ' LEU . 2.3 pt? -58.24 157.9 7.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -49.06 132.19 19.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.058 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -65.39 133.5 51.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.53 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 52.44 -147.93 0.44 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.513 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.871 ' HB2' ' HD3' ' B' ' 8' ' ' ARG . 54.4 mp0 -88.84 133.22 34.34 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.083 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.416 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 41.2 tt0 -72.52 135.12 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.981 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.509 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 96.7 mt-10 -77.43 131.0 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.416 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 4.0 m-85 -116.48 134.03 55.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.89 135.24 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.744 HG12 ' HB3' ' A' ' 40' ' ' LEU . 49.0 t -121.56 132.08 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.82 -51.45 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.354 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -178.83 137.62 0.15 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.984 0.421 . . . . 0.0 111.702 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -58.87 143.49 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.141 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.681 HD22 ' HG ' ' A' ' 39' ' ' LEU . 2.6 mm? -107.52 -40.12 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.471 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.3 m-20 -156.56 -150.78 0.3 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 44.5 ttt-85 -165.22 137.12 4.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.352 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -155.87 138.88 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.94 138.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.206 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.511 HG22 ' HG2' ' A' ' 33' ' ' LYS . 28.1 m -101.34 -41.59 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.976 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.511 ' HG2' HG22 ' A' ' 32' ' ' VAL . 21.7 pttp -167.66 56.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.46 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.36 13.86 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -89.93 133.81 34.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.97 0.414 . . . . 0.0 110.617 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.471 HG21 ' N ' ' A' ' 37' ' ' GLU . 8.4 p -95.88 144.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.267 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' N ' HG21 ' A' ' 36' ' ' VAL . 12.2 pt-20 -148.05 127.95 13.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.134 0.492 . . . . 0.0 110.582 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.402 ' HB3' HG23 ' A' ' 26' ' ' VAL . 2.5 m-85 -100.22 158.34 15.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.597 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.857 HD12 ' HB3' ' A' ' 50' ' ' ASN . 14.2 tp -87.57 140.55 29.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.505 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.744 ' HB3' HG12 ' A' ' 23' ' ' VAL . 6.1 mp -140.62 129.63 23.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 1.1 tmtp? -79.14 119.17 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.458 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.9 m95 -91.75 132.93 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.074 0.464 . . . . 0.0 111.914 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.49 143.39 55.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.18 -48.48 3.59 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.393 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -66.43 140.03 58.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.617 0.246 . . . . 0.0 110.447 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 50.6 m -52.7 141.36 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.8 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.77 -39.84 62.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.38 -31.23 71.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.519 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.35 43.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.857 ' HB3' HD12 ' A' ' 39' ' ' LEU . 4.8 m120 -65.19 139.74 58.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.276 . . . . 0.0 110.705 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.458 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 82.9 m -137.77 127.64 25.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.981 0.42 . . . . 0.0 111.323 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.49 ' CD1' HD11 ' A' ' 39' ' ' LEU . 16.5 m95 -85.41 141.17 30.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.824 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -131.7 141.04 40.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.331 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.501 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 Cg_endo -57.3 138.69 87.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.578 2.185 . . . . 0.0 111.799 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.494 ' O ' HD13 ' A' ' 58' ' ' LEU . 40.4 tt0 -52.67 -33.71 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.407 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.06 -48.87 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.58 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -64.79 -56.47 13.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.782 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.784 HD12 HD13 ' A' ' 64' ' ' ILE . 3.7 pp -55.84 149.41 14.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.56 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.732 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 59.8 t0 -124.38 58.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.442 ' HA ' ' OE1' ' B' ' 5' ' ' GLN . 27.0 p -141.98 60.33 10.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.407 ' HD2' ' OE1' ' B' ' 5' ' ' GLN . 19.4 Cg_endo -59.64 -37.56 87.17 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.576 2.184 . . . . 0.0 112.451 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.92 -44.62 91.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.325 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.639 HD11 ' H ' ' A' ' 63' ' ' LEU . 5.6 mp -67.7 -37.83 82.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.128 0.489 . . . . 0.0 109.809 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.784 HD13 HD12 ' A' ' 58' ' ' LEU . 85.0 mt -58.1 -49.64 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.655 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.532 ' HB1' HE21 ' A' ' 69' ' ' GLN . . . -61.06 -41.63 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.2 -32.05 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.586 ' HD2' HD23 ' A' ' 68' ' ' LEU . 30.5 t80 -61.47 -56.4 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.586 HD23 ' HD2' ' A' ' 67' ' ' PHE . 2.4 mm? -64.89 -40.22 94.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.791 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.532 HE21 ' HB1' ' A' ' 65' ' ' ALA . 73.6 mt-30 -59.62 -42.42 92.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.512 ' O ' ' HA ' ' A' ' 75' ' ' HIS . 56.2 m -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.117 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -80.05 37.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.318 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.771 ' HE2' ' HA ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -62.35 111.91 2.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.086 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 86.2 m 74.88 -47.16 0.62 Allowed 'General case' 0 CA--C 1.529 0.161 0 O-C-N 123.555 0.534 . . . . 0.0 110.612 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 73' ' ' THR . . . 176.74 43.02 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.435 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.512 ' HA ' ' O ' ' A' ' 70' ' ' SER . 32.6 t-80 64.95 142.14 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.897 0.379 . . . . 0.0 111.16 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -66.87 -139.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.299 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.555 HG23 ' H ' ' A' ' 78' ' ' ASP . 3.1 m -69.25 -136.18 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.716 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.555 ' H ' HG23 ' A' ' 77' ' ' THR . 1.5 m-20 -77.49 -149.74 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.689 0.28 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.19 135.3 41.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.881 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.481 0.182 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -64.83 -38.53 91.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.776 0.322 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.3 t -168.28 140.52 2.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.317 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.659 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.462 ' O ' HG21 ' B' ' 6' ' ' THR . 92.0 mm-40 64.71 132.84 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.558 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.536 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 39.7 p -152.98 116.34 4.67 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.732 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -84.63 135.28 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.468 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.871 ' HD3' ' HB2' ' A' ' 18' ' ' GLU . 91.4 mtt180 -66.74 143.95 56.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.712 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.389 -179.604 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.404 ' H ' ' C ' ' B' ' 8' ' ' ARG . 43.1 t 50.34 52.78 14.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.29 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.467 ' HA ' ' HG3' ' A' ' 18' ' ' GLU . 89.4 m 66.53 134.13 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.987 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.06 148.09 8.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.757 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.8 136.05 5.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.18 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -130.32 -140.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.526 0.203 . . . . 0.0 111.001 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.44 139.12 74.92 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.334 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.23 -130.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.824 2.349 . . . . 0.0 112.16 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.43 134.0 3.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.608 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.397 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.567 ' HD1' ' H ' ' A' ' 9' ' ' MET . 5.2 p80 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.567 ' H ' ' HD1' ' A' ' 8' ' ' HIS . 2.1 mpt? 67.06 -146.12 0.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.561 0.219 . . . . 0.0 110.551 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 9' ' ' MET . 17.5 m -151.57 42.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 120.788 0.328 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -62.31 119.84 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -80.85 -129.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t 67.8 129.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-O 120.9 0.381 . . . . 0.0 111.289 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.3 tp 61.78 114.62 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -80.21 40.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.52 -179.669 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -172.8 125.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.861 0.363 . . . . 0.0 111.056 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 178.91 134.53 0.09 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.511 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HG2' ' H ' ' B' ' 12' ' ' GLY . 54.6 mt-10 55.67 47.82 19.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.81 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.474 ' HG3' ' HE1' ' A' ' 21' ' ' TYR . 11.5 pt-20 -71.49 129.4 38.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.428 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 96.3 mt-10 -86.76 129.98 34.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' HG22 ' A' ' 23' ' ' VAL . 7.0 m-85 -98.5 140.25 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.5 t -57.71 -47.54 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.505 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 21' ' ' TYR . 17.5 t 65.23 128.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.22 -52.19 17.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.542 ' HE2' ' HB3' ' A' ' 66' ' ' GLU . 61.6 tttm 178.71 139.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.277 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.557 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -60.76 129.95 24.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.904 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 98.0 mt -80.65 -56.2 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.797 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.873 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.7 m-20 -137.81 -166.08 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -160.15 140.26 11.55 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.679 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.485 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.7 ptm180 -155.79 154.04 30.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.969 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.3 t -121.28 136.15 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.91 0.386 . . . . 0.0 111.192 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.99 127.75 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.371 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt 42.08 38.06 1.0 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.317 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.96 37.63 49.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HB3' ' HZ3' ' A' ' 35' ' ' LYS . 5.1 mmmp? -122.06 140.43 52.52 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.735 0.302 . . . . 0.0 110.585 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.551 HG13 ' H ' ' A' ' 55' ' ' GLU . 48.0 t -92.45 134.92 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.807 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -154.3 135.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.215 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 23.5 m-85 -127.56 135.23 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.904 ' HG ' ' HB2' ' A' ' 27' ' ' LEU . 14.5 tp -75.34 137.83 41.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.917 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.557 HD22 ' HB ' ' A' ' 26' ' ' VAL . 79.5 mt -137.1 132.14 33.67 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB2' HD22 ' A' ' 27' ' ' LEU . 27.8 tptp -86.24 76.43 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.306 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.475 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 30.6 m95 -55.3 131.35 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.607 ' HB2' ' HZ3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.26 139.08 58.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.431 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.74 -40.1 2.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.161 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.475 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 4.6 m-85 -72.54 137.21 46.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.998 0.427 . . . . 0.0 111.498 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.0 m -62.51 157.23 20.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p30 -53.73 -37.59 63.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -61.61 -36.65 81.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.019 0.438 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -61.4 -28.05 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.837 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.406 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 86.7 m-20 -44.75 142.49 1.71 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 111.346 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 t -147.52 128.82 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.987 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.556 ' CZ2' HD21 ' A' ' 39' ' ' LEU . 11.5 m95 -70.46 140.38 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.144 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.771 ' HG3' HD23 ' A' ' 58' ' ' LEU . 6.7 pt-20 -148.5 145.48 20.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.767 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.647 ' HG2' HD21 ' A' ' 57' ' ' ASN . 9.3 Cg_endo -51.46 136.49 48.26 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.143 2.562 . . . . 0.0 113.388 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.551 ' H ' HG13 ' A' ' 36' ' ' VAL . 43.5 tp10 -60.3 -30.89 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.095 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -49.28 -51.27 34.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.647 HD21 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -69.94 -37.61 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.771 HD23 ' HG3' ' A' ' 53' ' ' GLU . 7.4 mt -56.86 125.32 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.14 53.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.295 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.559 ' HB2' ' HB3' ' B' ' 5' ' ' GLN . 26.0 p -151.94 57.24 2.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.3 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.33 -31.55 47.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.695 2.263 . . . . 0.0 112.152 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.78 -50.49 72.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.645 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 54.7 mt -59.37 -45.18 92.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.72 ' H ' HD11 ' A' ' 64' ' ' ILE . 1.9 mp -52.45 -41.17 35.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -61.62 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.354 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.542 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -58.26 -41.7 84.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 179.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.49 ' HA ' ' HZ3' ' A' ' 25' ' ' LYS . 15.9 t80 -68.42 -44.75 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.641 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 76.1 mt -65.66 -41.87 92.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.81 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 28.3 mt-30 -55.22 -36.06 65.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.113 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -53.34 -47.53 69.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.92 -60.95 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.616 ' HG2' ' H ' ' A' ' 73' ' ' THR . 82.0 tttt 48.79 -133.34 1.47 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.726 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.616 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 69.3 p -83.04 40.93 0.72 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.905 0.383 . . . . 0.0 110.152 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 65.23 128.69 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.985 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.469 ' HD2' ' H ' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -61.37 -33.23 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.597 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.469 ' H ' ' HD2' ' A' ' 75' ' ' HIS . 43.0 tt0 -175.21 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -63.28 137.08 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.4 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.83 136.4 0.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.779 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.48 42.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.35 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.257 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.665 0.269 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 58.71 47.82 12.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p -56.58 -41.41 76.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.745 179.824 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.645 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 15.4 mp0 -108.98 132.79 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.532 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.491 ' HB ' ' HB3' ' A' ' 20' ' ' GLU . 55.0 p -152.07 147.46 26.51 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 111.677 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.655 ' HB2' HD21 ' A' ' 58' ' ' LEU . . . -148.35 130.01 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' B' ' 8' ' ' ARG . 51.2 mtm-85 -80.16 161.32 25.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.718 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.48 ' HE3' ' CZ ' ' A' ' 21' ' ' TYR . . . . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.383 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t 57.34 40.62 27.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.126 0.489 . . . . 0.0 110.551 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -69.67 -133.16 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.445 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -57.86 139.3 47.43 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.72 -134.05 1.78 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.393 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt 67.01 -73.34 0.08 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.392 0.277 . . . . 0.0 111.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.54 135.79 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.175 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.574 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.41 133.6 46.98 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.578 2.185 . . . . 0.0 112.275 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.4 136.84 45.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.521 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.554 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.747 0.308 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -172.08 140.39 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.632 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.419 ' O ' HG21 ' A' ' 10' ' ' VAL . 27.6 m -57.02 134.47 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.799 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 4.6 tp10 59.34 -125.28 1.26 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.039 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.539 ' HG2' ' H ' ' A' ' 13' ' ' VAL . 74.9 tt0 -177.04 -129.79 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.539 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 8.6 p -61.83 138.26 22.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.719 0.295 . . . . 0.0 110.782 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.9 tp -167.24 129.11 1.63 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.076 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.82 -141.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.796 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.78 139.68 51.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.833 0.349 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -58.62 -28.24 65.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.672 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.702 ' HG2' ' H ' ' B' ' 12' ' ' GLY . 91.1 mt-10 -48.09 130.48 15.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.999 0.428 . . . . 0.0 111.643 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 19' ' ' GLU . 4.8 mm-40 -93.67 149.24 21.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.025 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 46.7 mt-10 -77.82 136.27 38.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.988 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.425 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 9.0 m-85 -128.75 139.96 51.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -54.01 140.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.4 HG21 ' H ' ' B' ' 7' ' ' ALA . 82.3 t -129.93 127.61 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.435 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -81.97 -54.13 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.716 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.588 ' HA ' HD13 ' A' ' 63' ' ' LEU . 63.5 tttp 177.92 140.14 0.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.877 HG13 ' HB3' ' A' ' 38' ' ' TYR . 17.7 m -63.22 133.65 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.911 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.547 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 3.0 mm? -87.12 -17.04 33.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.577 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 31.2 t0 -176.36 -147.67 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.072 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.535 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 43.4 ttp85 -168.9 136.17 1.89 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.192 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.45 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.4 ptt180 -155.45 141.89 18.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.972 0.415 . . . . 0.0 111.95 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.29 137.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.151 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.699 HG22 ' HG2' ' A' ' 33' ' ' LYS . 34.8 m -104.58 -38.8 5.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.405 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.699 ' HG2' HG22 ' A' ' 32' ' ' VAL . 22.1 pttp -167.85 45.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.76 -35.63 4.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HZ2' ' NZ ' ' A' ' 33' ' ' LYS . 6.5 ptpp? -82.2 142.45 32.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.001 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.727 ' HB ' ' HG3' ' A' ' 55' ' ' GLU . 2.4 t -110.58 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.93 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.7 127.52 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.165 0.507 . . . . 0.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.877 ' HB3' HG13 ' A' ' 26' ' ' VAL . 21.7 m-85 -104.75 126.15 51.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.105 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.639 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 14.7 tp -59.79 143.45 51.04 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.568 HD22 ' CG1' ' A' ' 26' ' ' VAL . 74.8 mt -145.48 133.04 20.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 6.9 tmtm? -86.42 96.59 10.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.8 178.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.437 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 40.4 m95 -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 112.247 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -66.35 142.05 57.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.92 -49.69 3.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.609 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.11 141.5 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.522 0.201 . . . . 0.0 110.503 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.494 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.8 m -50.07 139.5 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.747 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -52.17 -46.46 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.962 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.5 pt-20 -57.39 -31.59 65.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.268 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.494 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -76.33 39.32 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.566 ' HB3' HD13 ' A' ' 39' ' ' LEU . 67.4 m-20 -68.23 142.73 55.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.437 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 90.9 m -136.35 128.2 29.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.431 . . . . 0.0 111.821 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.45 ' CE3' ' HG2' ' A' ' 30' ' ' ARG . 10.9 m95 -78.7 149.17 32.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.16 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' OE2' ' HA ' ' B' ' 9' ' ' MLY . 65.1 mm-40 -140.39 128.92 12.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.673 0.273 . . . . 0.0 111.364 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.509 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 Cg_exo -56.01 143.56 82.48 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.577 2.185 . . . . 0.0 111.778 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.727 ' HG3' ' HB ' ' A' ' 36' ' ' VAL . 54.9 mt-10 -50.56 -37.04 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.887 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.94 -49.47 70.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.662 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -66.26 -53.97 30.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.592 HD11 ' H ' ' A' ' 60' ' ' CYS . 3.0 pp -61.14 166.14 3.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.076 0.465 . . . . 0.0 111.46 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.788 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 38.8 t70 -137.4 50.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.662 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.592 ' H ' HD11 ' A' ' 58' ' ' LEU . 24.7 p -128.32 54.88 14.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.24 -45.11 43.43 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.591 2.194 . . . . 0.0 112.562 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.72 -33.81 66.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.002 0.429 . . . . 0.0 110.488 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.646 ' H ' HD21 ' A' ' 63' ' ' LEU . 2.6 mm? -67.0 -44.37 80.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.808 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.524 HD11 ' N ' ' A' ' 64' ' ' ILE . 2.0 mp -60.84 -47.22 94.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 110.676 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -59.67 -46.43 89.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.574 ' HG3' ' HZ2' ' A' ' 25' ' ' LYS . 17.8 tp10 -59.16 -41.58 88.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.562 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 29.2 t80 -55.45 -49.29 72.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.161 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.59 -37.79 85.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.474 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 98.2 mm-40 -54.23 -40.61 67.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.2 t -55.04 -36.37 65.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.749 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 71.3 mt-30 -77.31 54.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.21 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.557 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 6.2 ttpm? -167.72 132.97 1.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.869 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 m 53.56 28.06 7.38 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.448 0.642 . . . . 0.0 110.17 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 178.0 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.204 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.749 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 22.6 t-80 58.81 -122.4 1.25 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.301 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.539 ' N ' ' HD1' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -78.46 34.44 0.21 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.613 0.244 . . . . 0.0 111.198 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.422 ' H ' ' C ' ' A' ' 75' ' ' HIS . 71.0 p 54.24 111.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.02 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -74.3 -43.38 57.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.804 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.619 ' HZ2' ' HB3' ' A' ' 79' ' ' LYS . 5.7 ttpm? -170.65 134.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.652 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.777 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.454 ' HB2' ' H ' ' B' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.541 0.21 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.505 ' HA ' ' NE ' ' B' ' 2' ' ' ARG . 13.3 mmp_? 54.29 44.79 28.5 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.811 0.339 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 16.8 m -78.85 48.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 0.0 110.582 179.802 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' B' ' 5' ' ' GLN . 0.7 OUTLIER -75.98 140.87 42.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.612 -179.519 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.544 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 65.0 p -148.95 110.24 4.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.376 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.788 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -69.46 -155.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.713 HH12 ' HB2' ' A' ' 59' ' ' ASP . 63.7 mtt85 -156.08 137.98 14.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.02 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.42 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 53.4 m -58.24 122.64 13.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.612 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p 47.38 53.08 11.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.702 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -49.67 140.49 15.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.603 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' B' ' 14' ' ' LYS . . . 81.82 -45.39 3.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.206 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' B' ' 13' ' ' GLY . 62.6 tttp 73.43 -41.7 0.5 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 122.818 0.447 . . . . 0.0 111.788 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 65.89 137.26 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.183 0 CA-C-O 120.783 0.325 . . . . 0.0 111.209 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.66 131.96 48.81 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.477 2.118 . . . . 0.0 112.293 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.29 -44.53 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.434 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.678 179.865 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -58.45 -44.29 89.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.721 HG12 ' HG3' ' A' ' 12' ' ' GLU . 7.4 p -64.96 -41.0 90.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.571 ' N ' HG11 ' A' ' 10' ' ' VAL . 86.9 tt0 58.45 53.89 5.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.041 0.448 . . . . 0.0 110.825 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.721 ' HG3' HG12 ' A' ' 10' ' ' VAL . 54.0 mt-10 -61.65 132.45 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t 63.88 137.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.759 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD11 ' N ' ' A' ' 14' ' ' LEU . 6.1 mp -63.7 135.42 56.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.569 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -63.23 136.78 57.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.082 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -62.48 137.68 58.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.175 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -121.48 -155.91 0.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.72 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.94 -47.36 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.875 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 56.94 125.83 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.584 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.855 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 0.9 OUTLIER -79.87 137.02 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.196 0.522 . . . . 0.0 112.014 -179.534 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -122.92 133.36 54.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.541 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 57.8 t -64.0 134.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.812 HG12 ' HB3' ' A' ' 40' ' ' LEU . 41.6 t -124.38 130.9 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.93 -50.12 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -179.69 142.32 0.17 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.467 HG21 ' HB2' ' A' ' 67' ' ' PHE . 17.9 m -64.78 133.05 30.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.524 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 89.4 mt -78.36 -32.54 49.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.437 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.528 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.8 t70 -170.6 -153.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.878 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.528 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.4 ptt180 -168.61 142.27 3.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.372 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.1 ptt85 -155.65 144.69 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 111.217 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.1 t -92.72 143.04 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.972 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.456 HG21 ' H ' ' A' ' 33' ' ' LYS . 31.6 m -101.61 -40.69 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.725 0.298 . . . . 0.0 111.701 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -169.7 53.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.155 0.503 . . . . 0.0 110.374 -179.632 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 -25.38 28.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.885 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' C ' HG21 ' A' ' 36' ' ' VAL . 94.2 mttt -74.99 -155.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 111.04 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 38.9 t -145.57 145.71 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.01 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.805 ' HG2' ' HB3' ' A' ' 52' ' ' TRP . 27.7 tt0 -151.33 127.0 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.249 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.487 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 12.5 m-85 -119.58 144.09 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 111.891 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.595 HD11 ' H ' ' A' ' 40' ' ' LEU . 14.1 tp -88.07 145.55 25.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.36 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.812 ' HB3' HG12 ' A' ' 23' ' ' VAL . 5.3 mp -140.92 135.47 31.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.034 0.445 . . . . 0.0 111.606 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HB2' HD22 ' A' ' 27' ' ' LEU . 58.7 tptt -81.29 67.03 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.043 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.615 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 19.7 m95 -47.88 133.9 13.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.79 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.541 ' HD3' ' HB ' ' A' ' 22' ' ' VAL . 22.2 pttp -58.08 140.26 52.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.299 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.57 -36.33 1.6 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.608 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 1.3 m-85 -74.18 128.71 36.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 m -69.76 -166.45 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.279 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.504 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.6 m-20 -65.28 -51.99 57.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.36 -38.47 87.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.47 -34.85 64.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.451 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.615 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 80.4 m-20 -51.08 142.13 12.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 111.368 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.597 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.3 t -137.58 131.39 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.763 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.805 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 5.9 m95 -72.67 142.63 48.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.387 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HB2' HD22 ' A' ' 58' ' ' LEU . 52.6 mm-40 -135.32 139.78 32.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.707 ' HG2' HD21 ' A' ' 57' ' ' ASN . 8.5 Cg_endo -50.2 131.57 31.48 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.47 2.113 . . . . 0.0 111.81 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 17.6 tp10 -50.65 -28.61 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.492 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.09 -50.95 67.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.707 HD21 ' HG2' ' A' ' 54' ' ' PRO . 77.3 m-20 -71.35 -36.69 71.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 111.324 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.488 HD21 ' HB2' ' B' ' 7' ' ' ALA . 16.5 mt -52.08 139.13 23.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.264 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.698 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -130.72 54.5 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' B' ' 5' ' ' GLN . 64.1 m -142.43 57.89 6.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.892 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.448 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.6 Cg_exo -52.71 -38.58 77.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.516 2.144 . . . . 0.0 111.978 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.53 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 64.7 t0 -60.87 -45.36 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.593 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HA ' HD21 ' A' ' 63' ' ' LEU . 53.0 mt -63.67 -39.92 95.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.383 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 60' ' ' CYS . 47.2 mm -55.38 -51.46 56.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.528 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -57.26 -39.75 76.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.364 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.61 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 97.3 mt-10 -56.79 -41.85 78.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.498 ' CD2' HD21 ' A' ' 68' ' ' LEU . 15.6 t80 -62.97 -52.64 62.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.526 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.681 ' N ' HD21 ' A' ' 68' ' ' LEU . 3.4 mm? -56.31 -33.46 65.59 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.61 ' NE2' ' HA ' ' A' ' 66' ' ' GLU . 74.1 mt-30 -50.47 -37.1 36.7 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.4 t -58.63 -49.18 78.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 73.4 mt-30 -88.94 47.67 1.53 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.403 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HG3' ' HG1' ' A' ' 73' ' ' THR . 4.3 tppp? -156.51 133.23 10.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.891 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.433 ' HG1' ' HG3' ' A' ' 72' ' ' LYS . 20.3 m 56.31 15.94 2.16 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.839 0.828 . . . . 0.0 109.258 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 75' ' ' HIS . . . 171.67 54.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.325 -1.307 . . . . 0.0 108.633 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 23.6 m170 -56.11 -140.51 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.9 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -63.14 136.77 57.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.067 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.0 t -173.62 30.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -88.26 -54.19 4.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.645 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -75.09 135.73 41.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.737 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.936 0.398 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.424 HH11 ' HG3' ' B' ' 2' ' ' ARG . 32.0 ptt85 -173.43 43.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.828 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 67.8 p -60.71 -45.05 95.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.517 ' HE2' HG12 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.505 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER 65.36 130.99 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.809 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.508 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 40.0 p -153.39 115.44 4.33 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.738 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.698 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -71.29 -7.29 46.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.455 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.855 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 88.4 mtm180 65.82 -110.76 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.501 ' HG2' ' N ' ' B' ' 10' ' ' SER . . . . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.977 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.501 ' N ' ' HG2' ' B' ' 9' ' ' MLY . 95.4 p -169.58 55.09 0.04 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.766 0.317 . . . . 0.0 110.328 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p 54.32 44.17 29.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.127 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.89 123.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.911 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.28 -46.66 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.288 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.81 -142.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.651 0.263 . . . . 0.0 111.129 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.5 136.93 0.71 Allowed Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.86 -45.91 18.47 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.47 2.113 . . . . 0.0 112.331 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.54 -43.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.375 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.745 0.307 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 10.6 mmt -62.76 131.38 48.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.94 129.82 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.403 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -138.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.256 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG2' HG21 ' A' ' 13' ' ' VAL . 36.3 tt0 59.18 -118.17 0.92 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.668 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.422 HG21 ' HG2' ' A' ' 12' ' ' GLU . 45.0 t -57.62 129.67 19.76 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 CA-C-O 120.816 0.341 . . . . 0.0 111.179 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.68 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -84.15 -169.77 2.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.985 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.68 ' HG3' HD21 ' A' ' 14' ' ' LEU . 56.4 mt-10 47.59 -146.76 0.23 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 50.9 52.1 15.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -164.72 -140.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -58.98 125.76 24.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 111.0 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 39.3 tt0 -94.01 140.36 29.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.232 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.716 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 92.8 mt-10 -74.2 131.2 41.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.944 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.7 m-85 -117.66 143.23 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -55.35 135.03 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -117.9 135.43 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.568 -179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -86.74 -74.99 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -158.3 135.91 10.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.152 0.501 . . . . 0.0 111.368 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.804 HG21 HD22 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -60.7 134.65 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.459 HD13 ' HG ' ' A' ' 39' ' ' LEU . 89.8 mt -97.03 -40.33 8.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -174.72 -144.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.415 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.495 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . 15.7 ptm180 -168.95 147.22 3.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.62 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.557 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 16.4 ptm180 -155.12 138.81 16.1 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.59 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.454 HG11 ' O ' ' A' ' 35' ' ' LYS . 58.3 t -88.19 138.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.9 t -88.1 -50.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.841 0.353 . . . . 0.0 111.521 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -171.08 42.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.955 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.63 -31.19 4.45 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.179 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.454 ' O ' HG11 ' A' ' 31' ' ' VAL . 56.5 mtpt -78.6 -151.57 0.05 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.094 0.473 . . . . 0.0 110.653 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 7.5 p -166.8 136.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -145.1 127.98 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.792 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.495 ' HA ' ' HA ' ' A' ' 29' ' ' ARG . 5.5 m-85 -98.62 143.47 28.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.33 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.899 HD13 ' HB3' ' A' ' 50' ' ' ASN . 24.9 tp -82.75 140.08 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.86 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.804 HD22 HG21 ' A' ' 26' ' ' VAL . 4.7 mp -154.98 135.73 13.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.886 0.374 . . . . 0.0 111.819 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.809 ' HE2' ' HA ' ' A' ' 47' ' ' ASP . 27.7 tptp -77.01 127.62 33.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.616 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' HZ2' ' HG2' ' A' ' 53' ' ' GLU . 30.7 m95 -106.41 129.86 54.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.111 0.481 . . . . 0.0 111.507 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -56.7 144.0 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.728 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.66 -47.64 3.69 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.938 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.404 ' HD1' ' H ' ' A' ' 45' ' ' PHE . 1.5 m-85 -67.63 145.82 54.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.803 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.606 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 50.1 m -49.1 151.35 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.809 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 11.8 p-10 -55.64 -55.49 31.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.194 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.59 ' OE2' ' HB3' ' A' ' 46' ' ' SER . 1.2 pm0 -68.12 -11.09 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.629 0.252 . . . . 0.0 111.071 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.606 ' HB2' ' HB2' ' A' ' 46' ' ' SER . 31.8 t70 -75.38 24.8 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.244 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.899 ' HB3' HD13 ' A' ' 39' ' ' LEU . 68.4 m-20 -63.5 139.1 58.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.718 0.294 . . . . 0.0 110.449 179.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -136.24 126.87 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.262 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.56 ' NE1' HD12 ' A' ' 39' ' ' LEU . 9.0 m95 -76.43 131.87 39.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.615 ' HB2' HD22 ' A' ' 58' ' ' LEU . 50.7 mm-40 -111.95 147.01 35.97 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.4 Cg_exo -59.7 136.36 70.12 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.059 1.839 . . . . 0.0 111.214 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.436 ' HA ' HD13 ' A' ' 58' ' ' LEU . 15.6 tp10 -51.33 -42.77 61.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.389 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 15.3 pt-20 -61.6 -43.15 99.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 2.6 m120 -61.28 -35.49 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.615 HD22 ' HB2' ' A' ' 53' ' ' GLU . 20.3 mt -55.49 146.11 21.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.368 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.511 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -139.69 52.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.425 ' SG ' HD13 ' A' ' 63' ' ' LEU . 25.2 p -165.7 60.62 0.67 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.675 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.624 ' HA ' HD13 ' A' ' 64' ' ' ILE . 76.5 Cg_exo -50.55 -26.16 16.09 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.751 2.301 . . . . 0.0 112.587 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.572 ' HB3' ' NE2' ' B' ' 5' ' ' GLN . 8.3 t70 -51.16 -43.5 61.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.075 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.425 HD13 ' SG ' ' A' ' 60' ' ' CYS . 76.7 mt -67.7 -40.77 84.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.897 0.38 . . . . 0.0 110.046 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.624 HD13 ' HA ' ' A' ' 61' ' ' PRO . 67.6 mt -55.36 -43.54 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -63.01 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.898 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.523 ' HA ' ' OE1' ' A' ' 69' ' ' GLN . 39.3 tt0 -56.43 -36.62 69.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.321 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.511 ' HB2' HG13 ' A' ' 26' ' ' VAL . 19.0 t80 -59.68 -56.33 23.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.383 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.567 ' N ' HD11 ' A' ' 68' ' ' LEU . 5.5 mp -63.94 -28.74 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.045 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 84.9 mt-30 -48.82 -43.48 38.42 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.219 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.6 m -66.04 -46.05 79.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.929 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -83.23 48.77 1.43 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.808 ' HA ' ' HB2' ' A' ' 75' ' ' HIS . 63.0 tttp -115.67 -43.3 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.431 HG21 ' N ' ' A' ' 74' ' ' ALA . 6.0 t -53.11 -31.71 43.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.416 0.627 . . . . 0.0 109.41 178.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' O ' ' HG3' ' A' ' 76' ' ' GLU . . . -133.45 39.03 3.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.101 178.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.808 ' HB2' ' HA ' ' A' ' 72' ' ' LYS . 76.1 t60 -54.54 -37.31 65.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.465 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 74' ' ' ALA . 95.5 mt-10 67.79 134.24 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.238 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.8 p -66.18 -46.38 77.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.601 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -58.98 136.95 58.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 111.281 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.7 -47.92 81.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.979 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.664 HH21 ' HG2' ' B' ' 5' ' ' GLN . 79.6 mtp180 -62.83 129.31 39.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.436 ' OG1' ' HD3' ' B' ' 4' ' ' MLY . 77.3 p -73.25 -57.39 4.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.554 ' HD3' ' N ' ' B' ' 4' ' ' MLY . . . . . . . . 0 C--O 1.233 0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.654 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.664 ' HG2' HH21 ' B' ' 2' ' ' ARG . 69.7 mt-30 67.14 134.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.506 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 68.3 p -143.86 140.34 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.608 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.538 ' HB3' ' HA ' ' A' ' 58' ' ' LEU . . . -123.23 27.96 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.716 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 72.3 mtt-85 47.89 -143.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.256 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.509 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.23 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 86.8 p -53.92 122.49 10.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 47.7 p -151.21 -59.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.435 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.09 -122.65 12.35 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.673 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' B' ' 16' ' ' PRO . . . -164.28 134.23 3.29 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.271 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' B' ' 14' ' ' LYS . 12.7 mptt -59.95 137.68 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 111.094 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.496 ' N ' ' HD3' ' B' ' 16' ' ' PRO . . . 60.95 60.06 3.36 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.533 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' B' ' 15' ' ' ALA . 5.0 Cg_exo -76.17 40.43 0.75 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.894 2.396 . . . . 0.0 112.42 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.49 -136.53 0.07 OUTLIER Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.716 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.554 -179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.852 0.358 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 ptp -69.45 -142.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.8 p -80.58 42.64 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-O 121.227 0.537 . . . . 0.0 111.282 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -70.25 128.69 37.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -83.17 -150.57 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.041 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' A' ' 15' ' ' GLU . 20.0 t -84.67 53.88 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-O 121.071 0.462 . . . . 0.0 110.816 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.9 mt -78.58 45.48 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.289 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.47 ' HG3' HG11 ' A' ' 13' ' ' VAL . 91.5 mt-10 -59.88 -36.85 77.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.781 0.324 . . . . 0.0 110.932 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 50.2 mt-10 62.53 39.92 11.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 16' ' ' GLU . 44.2 tp10 72.95 -46.28 0.64 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.731 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.656 ' HB3' ' HD2' ' B' ' 8' ' ' ARG . 50.3 mt-10 -64.3 121.06 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 39.2 tt0 -116.15 142.34 46.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.005 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.89 73.87 2.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 7.0 m-85 -60.44 136.29 58.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.354 . . . . 0.0 110.961 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG12 ' HE2' ' B' ' 4' ' ' MLY . 62.0 t -62.28 136.52 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.533 HG12 HD21 ' A' ' 40' ' ' LEU . 19.1 t -127.5 129.72 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.16 -53.23 13.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -177.87 136.38 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.461 HG13 HD22 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.8 130.34 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.85 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 86.5 mt -81.99 -49.24 10.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.362 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.821 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 2.1 m-20 -146.05 -158.42 0.9 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.481 ' HG2' ' HE2' ' A' ' 67' ' ' PHE . 36.6 ptt85 -169.02 134.31 1.58 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.46 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.533 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 39.8 ptt180 -157.01 141.88 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.853 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.0 t -100.92 139.61 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.73 -80.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.323 . . . . 0.0 110.754 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.589 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 5.2 mtpm? -85.37 42.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.763 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.5 -24.16 5.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.399 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -75.25 142.62 43.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.991 0.424 . . . . 0.0 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.8 t -98.89 83.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.48 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.38 127.01 35.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.208 0.527 . . . . 0.0 111.145 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.526 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 7.6 m-85 -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.225 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.85 ' HG ' ' HB2' ' A' ' 27' ' ' LEU . 14.4 tp -85.05 136.15 33.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.646 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 23' ' ' VAL . 4.6 mp -151.07 140.97 21.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.752 0.311 . . . . 0.0 111.484 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -83.18 140.29 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -119.52 134.39 55.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.05 0.452 . . . . 0.0 111.134 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.582 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -58.52 147.99 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.84 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.95 -49.74 3.78 Favored Glycine 0 C--N 1.331 0.298 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.77 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -71.78 140.32 49.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -51.54 146.79 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.61 -41.43 73.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.983 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -62.93 -21.02 65.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.38 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.63 43.17 0.24 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.777 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.578 ' HB3' HD13 ' A' ' 39' ' ' LEU . 5.4 m120 -57.37 142.61 43.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.732 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.432 HG21 ' OE1' ' A' ' 53' ' ' GLU . 89.2 m -145.66 116.16 7.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.533 ' CZ3' ' HG2' ' A' ' 30' ' ' ARG . 8.7 m95 -85.45 117.66 24.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.262 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.574 ' HG3' ' HA ' ' B' ' 9' ' ' MLY . 3.1 mm-40 -107.55 142.04 24.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.796 ' HG2' HD21 ' A' ' 57' ' ' ASN . 5.8 Cg_endo -49.56 133.1 31.55 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 16.5 tp10 -56.84 -33.69 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.901 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.56 -48.29 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.575 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.796 HD21 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -72.34 -36.0 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.811 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.68 HD21 ' HB3' ' B' ' 7' ' ' ALA . 25.5 mt -48.79 140.36 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.616 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -132.83 48.75 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.002 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.828 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 70.1 m -126.44 64.19 54.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.03 -44.53 48.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.461 2.108 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.635 ' H ' HE21 ' B' ' 5' ' ' GLN . 61.7 m-20 -67.18 -44.45 79.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.573 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.561 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 52.5 mt -62.37 -43.85 97.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.655 0.264 . . . . 0.0 111.009 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 60' ' ' CYS . 87.3 mt -55.13 -47.82 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.231 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -59.55 -35.49 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.119 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 52.7 mt-10 -62.44 -41.13 98.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.376 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.526 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 9.8 t80 -71.46 -51.42 23.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.146 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.667 ' N ' HD11 ' A' ' 68' ' ' LEU . 5.5 mp -65.33 -21.4 66.7 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.214 0.531 . . . . 0.0 109.893 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.56 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 51.0 tp60 -49.31 -41.99 40.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.746 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.2 m -62.18 -44.97 95.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.612 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.693 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -71.12 -124.17 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.88 178.798 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.563 ' HG2' ' H ' ' A' ' 73' ' ' THR . 51.6 tttp 59.18 -133.34 0.95 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.563 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 86.1 m -64.72 -52.5 56.77 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.869 0.366 . . . . 0.0 110.609 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.18 41.26 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.693 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -68.33 -135.98 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.262 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.52 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 56.1 mt-10 62.37 44.6 7.21 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.825 0.345 . . . . 0.0 111.319 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -66.02 136.5 56.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.07 127.56 32.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.921 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -83.71 45.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.753 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.806 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.51 -140.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 81.0 p -65.65 128.25 35.2 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.564 ' HZ1' ' HB3' ' B' ' 4' ' ' MLY . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.828 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 12.1 mm100 -99.08 -43.58 6.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.78 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.481 HG22 ' HG3' ' B' ' 4' ' ' MLY . 17.7 p 63.32 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.288 0.566 . . . . 0.0 112.036 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.68 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -144.66 116.56 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.997 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.656 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 84.6 mtm180 -59.82 110.9 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.612 ' HG2' ' HA2' ' B' ' 13' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.381 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.4 m 62.37 -158.3 0.33 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.267 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.3 p -80.8 125.51 30.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.671 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.72 ' HA2' ' HZ1' ' B' ' 14' ' ' LYS . . . 74.66 -54.72 2.5 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 113.263 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.612 ' HA2' ' HG2' ' B' ' 9' ' ' MLY . . . 62.95 52.37 48.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.718 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.72 ' HZ1' ' HA2' ' B' ' 12' ' ' GLY . 0.0 OUTLIER -159.44 33.89 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.941 0.4 . . . . 0.0 110.841 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.61 57.43 8.81 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.562 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.493 ' HB2' ' H ' ' B' ' 17' ' ' GLY . 45.9 Cg_endo -67.43 -142.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.409 2.073 . . . . 0.0 112.254 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.493 ' H ' ' HB2' ' B' ' 16' ' ' PRO . . . 176.88 -135.11 2.72 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.559 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.296 -1.28 . . . . 0.0 112.483 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.847 0.356 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.8 tpp -171.64 -47.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.667 HG11 ' H ' ' A' ' 11' ' ' GLU . 7.7 p -175.52 -46.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.848 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.667 ' H ' HG11 ' A' ' 10' ' ' VAL . 11.6 pt-20 36.17 -137.17 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.812 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 43.8 tt0 -166.49 141.15 4.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.325 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.81 109.42 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.414 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 1.3 pp 177.19 36.26 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.707 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.742 ' HG2' ' HG3' ' A' ' 16' ' ' GLU . 44.6 tt0 -62.94 138.96 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.498 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.742 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 49.2 mt-10 74.07 -51.09 0.69 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.961 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 16' ' ' GLU . 93.7 mt-10 73.51 -53.96 0.69 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 122.718 0.407 . . . . 0.0 111.417 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.711 ' HG2' ' H ' ' B' ' 12' ' ' GLY . 89.1 mt-10 -65.89 125.52 25.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.648 0.261 . . . . 0.0 110.706 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.613 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 42.5 tp10 -84.56 136.01 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.293 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -78.45 77.98 4.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.434 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.613 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 5.5 m-85 -61.04 141.66 57.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.48 HG13 HH12 ' B' ' 4' ' ' MLY . 46.6 t -56.12 -43.47 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.763 HG22 ' HB2' ' B' ' 7' ' ' ALA . 21.8 t 67.1 143.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 111.031 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.592 ' HG2' ' HG2' ' A' ' 25' ' ' LYS . 38.7 tt0 -95.21 -52.59 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.592 ' HG2' ' HG2' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -173.43 149.38 1.7 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.503 HG21 HD22 ' A' ' 40' ' ' LEU . 1.2 t -72.1 144.1 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.601 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.67 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.1 mm? -108.72 -39.67 5.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.522 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.537 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 36.9 t0 -171.28 -146.31 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.403 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.537 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 32.2 ptt85 -168.79 141.34 2.77 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 2.8 ptm85 -155.58 137.04 14.07 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -95.88 132.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.256 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.679 HG22 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -94.07 -30.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.096 0.474 . . . . 0.0 111.222 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.679 ' HG2' HG22 ' A' ' 32' ' ' VAL . 60.0 pttt -159.9 -31.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.74 -22.53 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.917 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.578 ' HG2' HG21 ' A' ' 32' ' ' VAL . 21.8 ptmt -76.59 159.45 30.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.726 HG13 ' HE1' ' A' ' 38' ' ' TYR . 1.9 t -115.94 81.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -87.46 127.54 35.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.315 0.578 . . . . 0.0 111.381 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.726 ' HE1' HG13 ' A' ' 36' ' ' VAL . 8.1 m-85 -106.44 143.71 34.16 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.811 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.79 HD13 ' HB3' ' A' ' 50' ' ' ASN . 19.3 tp -83.19 140.64 32.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.503 HD22 HG21 ' A' ' 26' ' ' VAL . 4.9 mp -152.16 133.62 14.56 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.414 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' NZ ' ' HB2' ' A' ' 41' ' ' LYS . 4.9 ttmp? -74.85 134.02 41.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.515 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 33.8 m95 -107.59 134.39 50.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.478 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -62.55 145.4 54.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.86 -51.24 4.28 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -70.89 139.77 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.67 0.271 . . . . 0.0 110.437 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -52.72 144.44 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -55.03 -34.19 63.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -63.64 -27.78 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.807 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -76.5 43.94 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.599 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.79 ' HB3' HD13 ' A' ' 39' ' ' LEU . 4.6 m120 -60.72 143.68 53.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.652 0.263 . . . . 0.0 110.584 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -145.78 121.47 10.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.984 0.421 . . . . 0.0 111.565 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.501 ' NE1' HD12 ' A' ' 39' ' ' LEU . 10.8 m95 -83.84 154.52 23.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.132 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.453 ' OE2' ' HB3' ' B' ' 7' ' ' ALA . 16.2 pt-20 -149.05 138.8 12.88 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.444 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.668 ' HG2' HD21 ' A' ' 57' ' ' ASN . 17.7 Cg_endo -57.89 126.85 22.98 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.539 2.159 . . . . 0.0 112.107 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 5.0 tm-20 -41.46 -34.15 0.51 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.74 -50.72 43.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.668 HD21 ' HG2' ' A' ' 54' ' ' PRO . 77.1 m-20 -72.82 -30.75 64.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.727 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.723 ' H ' HD21 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -44.38 132.12 6.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.71 -179.283 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -122.31 41.83 3.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.846 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.899 ' HB2' HD12 ' A' ' 63' ' ' LEU . 25.7 p -155.7 59.05 2.0 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.549 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.3 -29.46 30.11 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.904 2.403 . . . . 0.0 112.184 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.598 ' HB3' HE21 ' B' ' 5' ' ' GLN . 33.3 t70 -56.0 -39.94 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.899 HD12 ' HB2' ' A' ' 60' ' ' CYS . 7.4 mp -70.35 -42.34 71.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.774 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.1 mp -59.57 -44.05 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.66 -43.95 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 89.2 tt0 -56.44 -39.58 73.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.846 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.14 -32.73 72.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.908 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 75.8 mt-30 -53.39 -43.04 67.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.255 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 72' ' ' LYS . 48.7 m -60.42 -32.9 71.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.759 179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -76.86 39.69 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.013 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.68 ' HA ' ' HB2' ' A' ' 75' ' ' HIS . 75.8 mmtt -143.57 -43.6 0.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.955 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 t -51.33 -26.51 7.67 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.681 0.753 . . . . 0.0 109.295 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.74 43.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.64 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.68 ' HB2' ' HA ' ' A' ' 72' ' ' LYS . 18.4 t-160 -46.58 125.88 7.61 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.992 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.601 ' HG2' ' H ' ' A' ' 77' ' ' THR . 28.0 tt0 53.26 -134.75 1.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.079 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.601 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 86.1 m -76.94 126.2 30.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.655 0.264 . . . . 0.0 110.884 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -179.3 134.3 0.12 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp 64.0 135.81 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.433 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.934 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.701 0.286 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.465 ' HG3' ' H ' ' B' ' 3' ' ' THR . 25.4 tpt85 59.55 -122.6 1.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.465 ' H ' ' HG3' ' B' ' 2' ' ' ARG . 61.8 p 49.99 -146.81 0.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.554 0.216 . . . . 0.0 111.486 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.48 HH12 HG13 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.068 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.598 HE21 ' HB3' ' A' ' 62' ' ' ASP . 11.8 mm100 -56.89 151.06 15.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.464 HG21 ' HA ' ' A' ' 22' ' ' VAL . 61.0 p -147.36 179.87 7.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 111.536 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.763 ' HB2' HG22 ' A' ' 23' ' ' VAL . . . -177.1 122.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.921 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.708 ' HB3' ' HB3' ' A' ' 18' ' ' GLU . 80.4 mtm180 -80.95 138.21 36.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.155 -178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.259 178.729 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 79.9 p -57.78 102.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.76 0.314 . . . . 0.0 110.43 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.9 m 57.71 53.51 7.1 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.056 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.711 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -57.53 136.09 51.04 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.257 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.79 52.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.801 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -78.27 50.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 134.91 78.76 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.347 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.45 144.09 84.25 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.677 2.251 . . . . 0.0 112.11 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.87 45.78 2.27 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.894 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.515 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 9' ' ' MET . 27.1 ttt -165.16 43.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.184 0.516 . . . . 0.0 110.545 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.08 -38.22 82.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.012 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -168.32 -51.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.649 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' C ' ' H ' ' A' ' 14' ' ' LEU . 23.9 pt-20 -69.72 136.17 50.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -80.03 34.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.289 0.566 . . . . 0.0 111.254 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' H ' ' C ' ' A' ' 12' ' ' GLU . 98.6 mt 47.0 -154.53 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.627 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 55.77 27.23 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.522 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 35.53 -139.22 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.605 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -174.42 135.33 0.43 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 110.976 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.658 ' HB3' ' HD3' ' B' ' 8' ' ' ARG . 56.7 mt-10 -148.95 133.59 17.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.456 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' B' ' 8' ' ' ARG . 84.5 tt0 -159.89 138.72 10.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.703 0.287 . . . . 0.0 111.331 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.757 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 45.4 mt-10 -76.11 134.04 40.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -112.24 140.27 47.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.46 140.37 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.526 HG22 ' HB1' ' B' ' 7' ' ' ALA . 58.8 t -127.37 132.55 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 111.765 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.77 -50.73 7.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.398 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -179.53 138.78 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.51 HG13 HD22 ' A' ' 40' ' ' LEU . 3.1 m -63.9 133.2 29.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.501 HD11 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -86.79 -35.91 18.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CH2' ' A' ' 52' ' ' TRP . 35.0 t70 -166.01 145.17 6.06 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -101.87 135.82 42.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -154.32 132.82 12.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.7 t -90.69 144.17 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.42 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.867 HG21 ' HG3' ' A' ' 33' ' ' LYS . 2.8 p -149.92 124.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.879 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.867 ' HG3' HG21 ' A' ' 32' ' ' VAL . 43.6 mtmt 62.48 37.01 13.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.094 -178.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.17 -19.08 3.04 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.712 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.494 ' HZ3' ' HZ3' ' A' ' 33' ' ' LYS . 88.2 mttt -69.08 -150.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.35 0.595 . . . . 0.0 110.958 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.8 p -169.52 133.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.418 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -141.17 139.05 33.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CE1' HG23 ' A' ' 36' ' ' VAL . 9.8 m-85 -116.61 129.08 55.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.468 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.537 HD12 ' NE1' ' A' ' 52' ' ' TRP . 22.7 tp -62.3 147.38 48.35 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.51 HD22 HG13 ' A' ' 26' ' ' VAL . 95.7 mt -145.25 129.31 17.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -177.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.22 111.95 18.1 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.704 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.416 ' HZ2' ' OE1' ' A' ' 53' ' ' GLU . 44.6 m95 -90.4 130.29 36.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.323 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.59 142.11 57.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.77 -41.46 2.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.959 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -68.69 136.44 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.678 0.275 . . . . 0.0 110.677 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.519 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.3 m -58.33 146.03 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.2 -40.57 61.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.67 -31.5 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.519 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.16 40.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' HB3' HD13 ' A' ' 39' ' ' LEU . 4.9 m120 -67.21 141.86 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.603 0.24 . . . . 0.0 110.431 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -140.86 128.07 20.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 111.408 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.537 ' NE1' HD12 ' A' ' 39' ' ' LEU . 19.9 m95 -92.39 150.49 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.472 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' OE1' ' HZ2' ' A' ' 42' ' ' TRP . 1.3 pm0 -151.4 146.1 18.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.397 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.876 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 31.0 Cg_endo -61.8 120.56 8.23 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.638 2.225 . . . . 0.0 111.911 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.599 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 38.4 tt0 -43.32 -29.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.84 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.876 ' HG2' ' HB2' ' A' ' 54' ' ' PRO . 16.1 pt-20 -46.3 -46.2 17.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.996 0.427 . . . . 0.0 110.202 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.549 HD21 ' HG2' ' A' ' 54' ' ' PRO . 76.0 m-20 -76.14 -37.21 58.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.758 HD11 ' H ' ' A' ' 58' ' ' LEU . 6.6 mp -54.85 138.11 43.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -130.92 56.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.496 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 26.7 p -145.46 56.59 3.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.229 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.496 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 49.9 Cg_exo -55.84 -34.77 92.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.519 2.146 . . . . 0.0 112.424 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.553 ' H ' HE22 ' B' ' 5' ' ' GLN . 34.5 t70 -56.89 -50.28 72.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.495 ' HG ' ' OE1' ' B' ' 5' ' ' GLN . 30.8 mt -66.75 -41.01 88.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.131 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.536 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 84.9 mt -54.03 -42.05 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.251 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.09 -42.42 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -55.85 -42.08 75.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -67.33 -47.16 71.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.183 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 78.7 mt -61.56 -25.11 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.916 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 3.4 mm100 -46.84 -43.17 18.32 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.627 0.251 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 m -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.119 0.485 . . . . 0.0 109.932 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -78.3 -115.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.308 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.526 ' HE3' ' HB3' ' A' ' 68' ' ' LEU . 32.6 mmtp 57.89 -149.6 0.46 Allowed 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 116.823 -0.172 . . . . 0.0 111.058 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.428 ' H ' ' HB3' ' A' ' 72' ' ' LYS . 68.3 p -55.11 -46.44 75.55 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.072 0.463 . . . . 0.0 110.625 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.28 60.01 5.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.332 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -43.64 139.58 2.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.38 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.491 ' HG3' ' H ' ' A' ' 77' ' ' THR . 4.6 tp10 -169.84 -127.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.031 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.491 ' H ' ' HG3' ' A' ' 76' ' ' GLU . 86.4 m 64.4 129.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.065 0.46 . . . . 0.0 111.326 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -71.73 135.67 46.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.985 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt 58.17 55.53 5.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.893 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.548 ' HB2' ' HD2' ' B' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.421 0.153 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.548 ' HD2' ' HB2' ' B' ' 1' ' ' ALA . 0.0 OUTLIER -55.75 -36.63 67.49 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.729 0.3 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -78.46 47.09 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.586 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.089 179.771 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.553 HE22 ' H ' ' A' ' 62' ' ' ASP . 79.2 mt-30 54.5 -164.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.6 p -158.84 -174.59 4.84 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.197 0.523 . . . . 0.0 111.573 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.526 ' HB1' HG22 ' A' ' 23' ' ' VAL . . . -174.19 115.54 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.62 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.757 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 19.2 ttm105 -64.98 130.21 42.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.863 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.225 179.099 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.489 ' OG ' ' HD2' ' A' ' 54' ' ' PRO . 50.3 m -62.94 122.1 15.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.43 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -162.53 -55.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.83 122.25 29.36 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.093 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.02 147.88 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -51.67 137.11 25.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.689 0.28 . . . . 0.0 110.799 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . -56.16 129.11 73.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.337 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 36.7 Cg_exo -60.42 134.32 54.39 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.573 2.182 . . . . 0.0 112.232 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.22 -133.61 48.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.512 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.711 0.291 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.43 ' O ' HG11 ' A' ' 10' ' ' VAL . 88.9 mmm -61.96 -45.72 92.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG11 ' O ' ' A' ' 9' ' ' MET . 31.4 m -149.13 136.91 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.843 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.642 ' HG3' ' HG2' ' A' ' 12' ' ' GLU . 43.4 tp10 -171.79 141.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.786 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.642 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 61.4 mm-40 75.19 -48.99 0.64 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.387 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -66.3 129.63 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD11 ' O ' ' A' ' 14' ' ' LEU . 1.1 pp -176.23 39.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -147.9 -143.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 11.2 pt-20 -173.66 48.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.967 0.413 . . . . 0.0 110.595 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -56.1 -47.1 78.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.784 ' HB2' ' HD3' ' B' ' 8' ' ' ARG . 10.9 pt-20 34.25 51.8 0.46 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.277 0.56 . . . . 0.0 111.934 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -60.75 143.36 54.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.851 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -79.99 123.92 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.599 ' O ' HG22 ' A' ' 23' ' ' VAL . 2.8 m-85 -100.3 146.78 26.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.585 HG22 ' HZ2' ' A' ' 43' ' ' LYS . 49.1 t -55.78 -44.85 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.78 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.813 HG23 ' HB2' ' B' ' 7' ' ' ALA . 21.4 t 66.97 141.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.418 . . . . 0.0 111.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.667 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 14.6 tp10 -85.22 -61.11 1.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.952 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -179.19 139.86 0.15 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 111.709 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.662 HG13 ' HB2' ' A' ' 67' ' ' PHE . 0.9 OUTLIER -58.61 135.57 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.789 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.587 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 2.5 mm? -100.93 -36.45 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.536 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 18.1 t70 -172.33 -150.62 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.512 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.546 ' HG2' HH11 ' A' ' 29' ' ' ARG . 20.5 ptt-85 -168.58 142.69 3.19 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.1 ptt180 -155.51 134.33 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.162 0.506 . . . . 0.0 112.195 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.1 t -79.01 151.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.734 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.618 HG21 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -135.1 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.901 0.382 . . . . 0.0 111.249 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.618 ' HG2' HG21 ' A' ' 32' ' ' VAL . 21.3 ptmt -163.12 53.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.09 -29.98 4.51 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.46 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.618 ' HZ3' ' HB2' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -78.29 -151.82 0.05 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 p -167.04 127.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.309 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -114.3 129.68 56.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 8.7 m-85 -102.14 138.77 38.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.479 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.824 HD12 ' HB3' ' A' ' 50' ' ' ASN . 22.1 tp -80.68 137.46 36.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.619 HD21 HG12 ' A' ' 23' ' ' VAL . 4.5 mp -151.74 129.6 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 111.707 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.667 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 85.5 tttt -72.16 138.16 47.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.498 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.52 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 62.9 m95 -111.31 133.17 53.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.118 0.485 . . . . 0.0 111.53 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.585 ' HZ2' HG22 ' A' ' 22' ' ' VAL . 38.4 ttpt -61.04 143.42 55.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.24 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.4 -46.24 2.99 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.207 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.74 139.07 53.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.638 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.405 ' OG ' ' HG2' ' A' ' 48' ' ' GLU . 46.7 t -52.01 146.22 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.17 -43.0 63.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 24.6 pt-20 -61.5 -29.24 69.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.033 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -74.07 36.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.824 ' HB3' HD12 ' A' ' 39' ' ' LEU . 68.4 m-20 -69.48 141.89 53.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.287 . . . . 0.0 110.39 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -135.49 126.86 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.537 ' NE1' HD11 ' A' ' 39' ' ' LEU . 13.3 m95 -81.55 124.72 29.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 59.7 mm-40 -89.58 143.23 30.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.052 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 57' ' ' ASN . 6.4 Cg_exo -73.0 45.3 0.9 Allowed 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.152 2.568 . . . . 0.0 113.407 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.2 tt0 58.29 -73.73 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' PRO . 55.0 mt-10 -49.25 -38.68 27.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.514 ' CG ' ' HD2' ' A' ' 54' ' ' PRO . 3.5 m120 -58.47 -58.42 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.862 HD12 HD12 ' A' ' 64' ' ' ILE . 3.3 pp -59.31 179.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 111.75 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.775 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 35.0 t70 -156.98 44.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.253 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.668 ' HB3' HD12 ' A' ' 63' ' ' LEU . 75.2 m -120.72 69.88 17.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.949 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.81 -38.16 96.41 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.906 2.404 . . . . 0.0 112.385 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.625 ' HB3' HE21 ' B' ' 5' ' ' GLN . 38.6 t70 -62.6 -40.58 97.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.668 HD12 ' HB3' ' A' ' 60' ' ' CYS . 7.8 mp -68.47 -45.38 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.925 0.393 . . . . 0.0 110.659 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.862 HD12 HD12 ' A' ' 58' ' ' LEU . 79.4 mt -59.47 -42.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -70.18 -41.02 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.152 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.27 -38.03 79.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.048 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.662 ' HB2' HG13 ' A' ' 26' ' ' VAL . 16.6 t80 -60.8 -48.99 79.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.363 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.94 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.39 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 72.3 mt-30 -58.76 -39.54 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.8 t -57.22 -51.7 68.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.412 ' HA ' ' CD2' ' A' ' 75' ' ' HIS . 57.7 mt-30 -73.83 -110.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.146 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.597 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 5.4 ttpm? 66.58 55.46 0.8 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.629 0.252 . . . . 0.0 110.564 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.425 HG21 ' O ' ' A' ' 72' ' ' LYS . 8.8 t 39.61 38.71 0.44 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.363 0.602 . . . . 0.0 110.785 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.49 54.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.159 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.412 ' CD2' ' HA ' ' A' ' 71' ' ' GLN . 19.8 m170 -46.85 135.34 9.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.033 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.17 134.21 56.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 74.9 p -60.88 137.33 58.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.312 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 77' ' ' THR . 1.5 m-20 74.14 -52.53 0.69 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.581 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 78' ' ' ASP . 63.6 tttm 73.88 -40.78 0.47 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.397 0.436 . . . . 0.0 111.534 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.343 -0.837 . . . . 0.0 111.005 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' B' ' 2' ' ' ARG . 75.7 ttt180 57.46 35.99 26.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.195 0.521 . . . . 0.0 110.428 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 73.7 p -83.48 -148.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.148 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.738 179.778 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.625 HE21 ' HB3' ' A' ' 62' ' ' ASP . 73.9 mt-30 66.06 117.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.633 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.678 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 52.4 p -154.38 125.29 7.18 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.594 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.813 ' HB2' HG23 ' A' ' 23' ' ' VAL . . . -80.08 -131.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.784 ' HD3' ' HB2' ' A' ' 18' ' ' GLU . 39.8 ttm180 179.8 135.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.745 0.307 . . . . 0.0 110.74 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.088 -179.715 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.5 m -77.5 52.84 1.0 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.1 p 52.76 50.2 18.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.35 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.26 137.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.97 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.43 -150.76 46.94 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.936 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -86.48 -50.0 7.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.76 0.314 . . . . 0.0 111.198 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -172.28 143.75 1.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.975 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.83 -141.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.02 135.52 46.12 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.443 -1.199 . . . . 0.0 112.545 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.3 m170 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.693 0.282 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.4 tpp 64.08 137.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.48 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 m -61.24 144.47 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.252 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -139.17 -44.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -60.4 138.94 57.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.509 HG13 HD22 ' A' ' 14' ' ' LEU . 41.6 t 65.5 121.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.973 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 HD22 HG13 ' A' ' 13' ' ' VAL . 4.5 mm? 61.45 118.92 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.36 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.622 ' HG3' HG22 ' B' ' 11' ' ' THR . 23.1 pt-20 -179.6 37.85 0.0 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.773 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 62.8 123.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.452 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -79.97 133.45 36.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.876 ' HG2' ' HB ' ' B' ' 11' ' ' THR . 4.7 mm-40 -74.96 131.59 40.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.908 0.385 . . . . 0.0 111.593 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 89.1 tt0 -75.49 146.95 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.393 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 8.7 mp0 -68.27 76.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.454 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.6 m-85 -61.23 135.3 57.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.192 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.765 ' HA ' HG21 ' B' ' 6' ' ' THR . 21.4 t -67.45 137.47 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.33 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.509 HG23 ' HB3' ' A' ' 40' ' ' LEU . 6.8 p -129.07 134.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.589 ' HG2' ' HG3' ' A' ' 25' ' ' LYS . 44.1 tt0 -67.25 -69.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.605 ' HA ' HD21 ' A' ' 63' ' ' LEU . 67.3 mttm -154.05 143.7 21.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.167 0.508 . . . . 0.0 111.949 -178.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.515 ' CG2' HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -60.01 131.85 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.564 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.595 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 94.6 mt -92.94 -43.02 9.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 41.4 m-20 -164.46 -153.55 0.21 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 112.014 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HG2' ' HE2' ' A' ' 67' ' ' PHE . 40.1 ptt180 -168.93 139.06 2.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.635 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.54 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.89 129.18 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.078 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.3 t -89.12 140.8 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 110.983 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.593 HG23 ' HZ1' ' A' ' 33' ' ' LYS . 7.4 p -153.99 131.96 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.882 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.593 ' HZ1' HG23 ' A' ' 32' ' ' VAL . 57.2 mttp 75.62 -37.31 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.625 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 154.23 -21.65 0.66 Allowed Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.698 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.852 ' H ' ' HD2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -100.94 139.37 36.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.042 0.448 . . . . 0.0 111.758 -179.071 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.645 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 2.8 t -80.8 141.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.401 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 11.6 pt-20 -139.08 127.18 22.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 110.83 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.474 ' HE1' HG13 ' A' ' 36' ' ' VAL . 6.5 m-85 -105.34 129.5 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.63 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.595 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 27.0 tp -64.88 143.68 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.515 HD22 ' CG2' ' A' ' 26' ' ' VAL . 74.3 mt -142.77 131.57 22.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.473 . . . . 0.0 112.184 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 28.4 tptp -83.05 72.35 10.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.491 ' CZ3' ' HB ' ' A' ' 23' ' ' VAL . 48.8 m95 -58.16 138.01 56.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 45' ' ' PHE . 22.1 pttp -58.86 143.86 46.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.328 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.03 -39.84 2.07 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.567 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.403 ' H ' ' C ' ' A' ' 43' ' ' LYS . 2.2 m-85 -78.99 131.07 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.7 m -70.17 -166.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.445 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.66 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 8.2 t70 -67.42 -50.36 59.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.072 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -40.36 94.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.63 -36.79 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.405 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.66 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 76.9 m-20 -52.03 136.13 29.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.018 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.521 HG23 HH23 ' B' ' 9' ' ' MLY . 5.8 t -128.33 131.68 48.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.445 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.517 ' CE3' ' HG2' ' A' ' 30' ' ' ARG . 8.8 m95 -66.66 101.83 0.84 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.944 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.517 ' HG2' HD22 ' A' ' 58' ' ' LEU . 88.4 tt0 -88.13 137.63 31.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.189 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.796 ' HG2' HD21 ' A' ' 57' ' ' ASN . 9.6 Cg_endo -53.23 133.68 53.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.422 2.082 . . . . 0.0 111.768 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.9 tt0 -52.79 -30.37 32.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.578 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -57.21 -52.22 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.839 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.796 HD21 ' HG2' ' A' ' 54' ' ' PRO . 79.1 m-20 -70.66 -31.29 68.16 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.704 HD21 ' HB3' ' B' ' 7' ' ' ALA . 17.3 mt -50.23 140.27 13.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 111.453 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 29.2 m-20 -127.92 41.11 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.19 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.645 ' O ' HD13 ' A' ' 63' ' ' LEU . 8.9 p -144.02 59.76 7.37 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.224 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.439 ' O ' ' HB3' ' A' ' 65' ' ' ALA . 21.5 Cg_endo -60.93 -9.18 11.27 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.364 2.042 . . . . 0.0 112.053 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 35.0 t70 -65.79 -64.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.547 -179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.686 HD11 ' N ' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -68.42 -32.83 73.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.168 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.686 ' N ' HD11 ' A' ' 63' ' ' LEU . 77.4 mt -58.77 -41.8 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 61' ' ' PRO . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.42 178.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 71.8 mm-40 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 49.1 t80 -69.64 -51.97 30.04 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.031 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.617 ' N ' HD13 ' A' ' 68' ' ' LEU . 3.3 mp -78.23 -48.15 16.43 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 7.7 tt0 -46.5 -42.73 16.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -64.47 -42.86 95.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.187 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -84.26 35.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.115 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.598 ' HG3' ' H ' ' A' ' 73' ' ' THR . 44.4 tptt -70.68 -136.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.1 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.598 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 5.4 t -61.23 -39.77 91.51 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.543 ' N ' HG21 ' A' ' 73' ' ' THR . . . -84.12 38.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.474 178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' ND1' ' N ' ' A' ' 76' ' ' GLU . 10.6 p80 -54.81 -42.23 71.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.585 ' HG2' ' HG1' ' A' ' 77' ' ' THR . 89.3 tt0 -89.62 131.15 35.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.585 ' HG1' ' HG2' ' A' ' 76' ' ' GLU . 6.2 m 53.37 -126.59 2.41 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.738 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.516 ' H ' HG23 ' A' ' 77' ' ' THR . 2.6 p30 -174.14 37.5 0.01 OUTLIER 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.756 0.313 . . . . 0.0 110.801 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 63.71 133.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.25 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.797 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 34.3 tpt85 -59.73 -45.69 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.695 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 61.5 m 63.97 133.76 0.02 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.292 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.536 ' HE3' HG23 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 23' ' ' VAL . 3.2 mm100 -63.25 133.7 54.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.239 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.765 HG21 ' HA ' ' A' ' 22' ' ' VAL . 27.5 p -155.78 154.05 30.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.704 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -155.67 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.566 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 89.7 mtm-85 44.81 -130.58 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.329 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.521 HH23 HG23 ' A' ' 51' ' ' THR . . . . . . . . 0 C--O 1.232 0.141 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 79.8 p -174.73 -58.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.876 ' HB ' ' HG2' ' A' ' 18' ' ' GLU . 63.8 m -65.64 -72.11 0.17 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.458 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.408 ' N ' ' HB2' ' A' ' 18' ' ' GLU . . . 67.24 148.71 0.12 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.698 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.45 -136.07 1.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.628 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.511 ' HD2' ' N ' ' B' ' 14' ' ' LYS . 12.2 mptt -63.43 130.42 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 111.07 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.417 ' N ' ' CD ' ' B' ' 16' ' ' PRO . . . -68.61 -48.86 31.57 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.651 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' B' ' 15' ' ' ALA . 50.7 Cg_exo -54.33 134.64 62.03 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.279 1.986 . . . . 0.0 112.277 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.29 -132.32 42.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.312 -1.271 . . . . 0.0 112.427 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.449 ' H2 ' ' HD1' ' A' ' 8' ' ' HIS . 19.2 p-80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.799 0.333 . . . . 0.0 111.218 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.7 mtt 54.84 42.48 31.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.68 136.15 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -127.86 -154.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.766 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -82.97 130.36 35.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.53 135.45 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.222 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.02 126.71 29.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.183 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -92.52 57.45 2.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.455 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 77.4 tt0 -172.16 -124.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.596 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' H ' ' HG2' ' A' ' 16' ' ' GLU . 5.2 tp10 -172.12 59.44 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.876 0.37 . . . . 0.0 110.797 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.645 ' HG2' ' HG1' ' B' ' 11' ' ' THR . 91.8 mt-10 -76.99 49.04 0.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.385 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.82 132.58 48.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.279 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -90.81 89.5 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.485 ' O ' HG22 ' A' ' 23' ' ' VAL . 3.9 m-85 -62.46 133.66 55.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.136 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.532 ' HA ' HG21 ' B' ' 6' ' ' THR . 56.7 t -57.84 -47.28 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 21' ' ' TYR . 21.3 t 65.72 133.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.187 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -73.87 -55.97 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.42 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt 179.64 136.75 0.11 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.593 ' HA ' HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.5 130.48 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.131 179.145 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.587 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 2.7 mm? -86.87 -71.43 0.55 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.901 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.5 m-20 -124.96 143.88 50.66 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.405 ' HB2' ' HE2' ' A' ' 67' ' ' PHE . 78.4 ttt180 -97.76 146.86 24.96 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.509 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 45.2 ttt85 -154.31 160.82 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.077 0.465 . . . . 0.0 111.652 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.445 HG23 ' HA ' ' A' ' 36' ' ' VAL . 19.1 t -150.38 131.2 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.977 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 33' ' ' LYS . 19.6 m -98.63 -129.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HG2' HG22 ' A' ' 32' ' ' VAL . 24.3 pttm -52.2 -21.75 3.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.654 0.264 . . . . 0.0 111.271 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.47 -26.97 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.141 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -60.39 159.38 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.051 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.489 HG13 ' CE1' ' A' ' 38' ' ' TYR . 3.3 t -122.46 89.7 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.729 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.616 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -88.62 130.69 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 111.554 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.489 ' CE1' HG13 ' A' ' 36' ' ' VAL . 43.0 m-85 -114.44 130.68 56.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.669 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.901 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 11.6 tp -74.88 141.85 44.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.4 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.593 HD21 ' HA ' ' A' ' 26' ' ' VAL . 67.5 mt -139.88 135.63 33.09 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' ' 47' ' ' ASP . 28.0 tptp -89.22 73.22 8.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.553 ' NE1' ' HB ' ' A' ' 51' ' ' THR . 29.0 m95 -52.93 129.92 31.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.355 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.583 ' HD3' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -66.82 150.66 48.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.611 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.19 -49.66 3.58 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.686 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.47 140.65 55.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.322 . . . . 0.0 110.801 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m -53.17 151.12 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 10.9 m-20 -52.05 -38.54 57.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.86 -29.28 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.582 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.47 42.34 0.12 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.536 ' HB3' HD12 ' A' ' 39' ' ' LEU . 5.7 m120 -68.55 142.78 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.572 0.225 . . . . 0.0 110.48 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.553 ' HB ' ' NE1' ' A' ' 42' ' ' TRP . 66.9 m -143.19 129.06 19.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.177 0.513 . . . . 0.0 111.529 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.552 ' HB3' ' HB2' ' A' ' 37' ' ' GLU . 13.1 m95 -93.71 138.71 31.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.032 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.616 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 58.1 mm-40 -119.09 143.92 34.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.913 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HD2' HD21 ' A' ' 57' ' ' ASN . 47.7 Cg_endo -67.11 26.9 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.822 2.348 . . . . 0.0 114.7 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 34.6 tt0 68.72 -42.05 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -57.82 -44.54 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.492 HD21 ' HD2' ' A' ' 54' ' ' PRO . 75.8 m-80 -65.89 -27.03 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.389 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.629 ' H ' HD21 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -54.14 108.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.196 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.585 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -85.49 -22.86 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 109.498 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.581 ' SG ' HD11 ' A' ' 63' ' ' LEU . 11.5 p -93.42 102.76 8.1 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 59' ' ' ASP . 82.1 Cg_endo -78.8 -33.78 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.182 1.921 . . . . 0.0 112.045 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -54.71 -42.66 71.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.948 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.581 HD11 ' SG ' ' A' ' 60' ' ' CYS . 41.5 mt -59.68 -51.47 69.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.625 0.25 . . . . 0.0 111.401 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.555 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 77.2 mt -52.22 -46.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.632 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.619 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -64.93 -41.09 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.579 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -54.85 -46.8 74.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.405 ' HE2' ' HB2' ' A' ' 29' ' ' ARG . 15.8 t80 -65.64 -45.23 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.58 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 79.7 mt -63.13 -26.96 69.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.2 mm-40 -48.83 -43.32 38.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.56 0.219 . . . . 0.0 111.455 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 p -57.18 -43.96 83.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -67.99 -58.55 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.615 ' HG3' ' H ' ' A' ' 73' ' ' THR . 25.0 tptp 51.48 -134.42 1.62 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.45 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.615 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 88.1 m -71.53 -51.65 22.41 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.6 51.0 1.59 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.177 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -55.65 131.59 46.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.759 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.83 132.92 48.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.987 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.5 t -175.55 40.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 56.93 44.41 23.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.748 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -171.22 135.13 0.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.946 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.726 0.298 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -174.51 -45.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.8 p -70.01 -140.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.409 ' O ' ' HG3' ' B' ' 4' ' ' MLY . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.047 0.451 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.542 ' C ' ' HB3' ' A' ' 60' ' ' CYS . 76.7 mt-30 58.03 -114.54 0.78 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.034 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.585 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 29.1 p 63.43 129.72 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.047 0.539 . . . . 0.0 112.372 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.434 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -100.18 -132.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.475 ' HD3' ' OG1' ' B' ' 11' ' ' THR . 31.8 ttm180 -178.4 139.89 0.2 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.417 HH11 ' CG ' ' A' ' 42' ' ' TRP . . . . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.178 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.47 ' HA ' ' CG ' ' A' ' 57' ' ' ASN . 48.3 t 53.39 42.37 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.367 . . . . 0.0 111.032 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.645 ' HG1' ' HG2' ' A' ' 18' ' ' GLU . 81.0 p -68.95 -135.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.14 -54.3 38.5 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.399 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.79 -44.35 1.77 Allowed Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.966 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -62.76 133.06 54.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.065 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.56 133.76 0.04 OUTLIER Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.501 ' HB2' ' H ' ' B' ' 17' ' ' GLY . 56.6 Cg_endo -69.34 -139.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.459 2.106 . . . . 0.0 112.138 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.501 ' H ' ' HB2' ' B' ' 16' ' ' PRO . . . -69.45 -134.35 0.07 OUTLIER Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.582 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.583 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.0 m170 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.594 0.235 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.714 ' HG3' HG22 ' A' ' 10' ' ' VAL . 15.6 tpt 65.56 143.41 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.318 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.714 HG22 ' HG3' ' A' ' 9' ' ' MET . 59.2 t 74.13 -32.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.527 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 9' ' ' MET . 49.7 mt-10 66.99 137.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.015 0.436 . . . . 0.0 111.188 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -58.28 136.25 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.371 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.31 143.93 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.04 37.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.586 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -74.67 -49.94 19.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.625 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -75.8 135.41 40.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' B' ' 9' ' ' MLY . 49.0 mt-10 -61.75 136.42 57.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 56.6 mt-10 -65.15 -111.37 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.255 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.589 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 14.8 pt-20 50.3 142.98 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' HB3' ' HG1' ' B' ' 6' ' ' THR . 90.0 mt-10 -70.54 131.42 43.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.839 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.616 ' O ' HG21 ' A' ' 23' ' ' VAL . 4.1 m-85 -101.93 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.222 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.479 ' HA ' HG23 ' B' ' 6' ' ' THR . 46.3 t -54.69 -46.54 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.554 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.616 HG21 ' O ' ' A' ' 21' ' ' TYR . 17.4 t 64.48 127.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.368 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -79.22 -48.67 13.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -178.94 138.2 0.15 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.487 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' HB ' HD22 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -63.49 130.73 28.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.724 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 96.2 mt -79.95 -61.43 1.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.641 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.913 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 75.9 m-20 -133.85 -159.17 0.94 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 33.4 ttp180 -163.89 127.2 2.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.213 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 38.2 ptt85 -157.02 137.39 12.93 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 HG11 ' O ' ' A' ' 35' ' ' LYS . 59.8 t -85.4 140.49 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.049 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.516 HG21 ' H ' ' A' ' 33' ' ' LYS . 27.7 m -93.97 -41.98 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 111.748 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.516 ' H ' HG21 ' A' ' 32' ' ' VAL . 22.7 pttm -171.91 61.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.561 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.2 -22.81 27.61 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' HG11 ' A' ' 31' ' ' VAL . 14.2 mmmm -73.04 -151.25 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.149 0.5 . . . . 0.0 110.345 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.5 p -172.45 136.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.126 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -152.11 131.48 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.443 ' HB2' HD13 ' A' ' 58' ' ' LEU . 7.4 m-85 -106.48 130.32 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.143 0.497 . . . . 0.0 112.206 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.913 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 16.6 tp -65.32 139.75 58.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 26' ' ' VAL . 29.7 mt -142.22 133.41 26.17 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 7.7 tmtm? -81.72 86.03 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.524 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.61 ' HE1' HG21 ' A' ' 51' ' ' THR . 73.3 m95 -61.96 130.14 44.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.443 -178.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -66.22 142.45 57.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.308 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -42.74 2.21 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.956 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 1.9 m-85 -73.79 131.67 41.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.9 m -59.7 157.02 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -50.54 -29.84 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 15.4 pt-20 -67.49 -40.61 85.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.223 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.461 ' OD1' ' HG3' ' A' ' 48' ' ' GLU . 37.2 m-20 -77.05 33.25 0.15 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -90.2 141.13 29.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.714 0.292 . . . . 0.0 110.752 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.761 HG23 HH23 ' B' ' 9' ' ' MLY . 8.7 t -144.62 132.89 21.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.082 0.467 . . . . 0.0 111.14 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.503 ' CH2' ' HB2' ' A' ' 28' ' ' ASP . 11.1 m95 -72.9 111.13 7.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.726 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.532 ' HB3' HD22 ' A' ' 58' ' ' LEU . 86.3 tt0 -94.54 136.34 23.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.746 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.79 ' HG2' HD21 ' A' ' 57' ' ' ASN . 10.9 Cg_endo -54.73 133.99 60.24 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.457 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 44.1 tt0 -55.42 -33.07 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -50.48 -49.71 54.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.031 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.79 HD21 ' HG2' ' A' ' 54' ' ' PRO . 77.4 m-20 -73.49 -33.9 65.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.02 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 53' ' ' GLU . 24.6 mt -53.6 134.56 41.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.992 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -121.92 39.22 3.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.133 0.492 . . . . 0.0 110.247 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.699 ' HA ' HE21 ' B' ' 5' ' ' GLN . 25.0 p -131.49 59.96 49.02 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.347 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 52.8 Cg_exo -54.48 -35.88 86.6 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.473 2.115 . . . . 0.0 112.032 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 65.6 t0 -58.62 -50.86 72.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.719 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -63.91 -43.59 95.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.603 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.497 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 74.8 mt -55.14 -42.16 63.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.52 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.604 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.5 mt-10 -57.11 -43.39 82.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.5 t80 -65.62 -44.22 87.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.2 mt -64.08 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.211 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 85.0 mt-30 -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -85.89 34.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -146.37 -31.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HE2' ' HB3' ' A' ' 68' ' ' LEU . 75.1 mmtt -52.07 116.2 2.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.382 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.419 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 90.5 m 73.74 -44.68 0.58 Allowed 'General case' 0 CA--C 1.529 0.161 0 O-C-N 123.688 0.617 . . . . 0.0 110.804 -179.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' A' ' 72' ' ' LYS . . . -179.92 -47.06 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -177.4 -32.63 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.096 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 66.95 55.4 0.72 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 66.8 p -52.48 -39.63 61.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.327 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -165.34 -44.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.703 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.609 ' NZ ' ' HB2' ' A' ' 79' ' ' LYS . 10.1 mtmp? -69.38 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.842 179.917 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.802 0.334 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 23.5 ptt-85 -173.41 131.53 0.46 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 80.8 p -82.32 45.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.529 ' O ' HG21 ' B' ' 6' ' ' THR . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 121.131 0.491 . . . . 0.0 110.4 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.699 HE21 ' HA ' ' A' ' 60' ' ' CYS . 2.9 mm100 57.92 -93.37 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.611 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.529 HG21 ' O ' ' B' ' 4' ' ' MLY . 69.3 p 53.5 -154.32 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.196 0.522 . . . . 0.0 112.247 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.524 ' HB3' ' H ' ' B' ' 8' ' ' ARG . . . -172.56 -119.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.986 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.543 ' NE ' ' HB3' ' A' ' 18' ' ' GLU . 26.5 ttt85 -178.59 -138.85 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.761 HH23 HG23 ' A' ' 51' ' ' THR . . . . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.9 t 58.66 36.09 24.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.58 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.8 p 45.49 53.78 8.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.823 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . 0.436 ' N ' ' HG2' ' A' ' 18' ' ' GLU . . . -77.01 52.36 3.29 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.768 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.38 -117.64 0.43 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.438 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.56 ' HZ3' ' HB2' ' B' ' 14' ' ' LYS . 4.3 ttmp? 65.98 -129.01 0.25 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.496 ' H ' ' HG2' ' B' ' 14' ' ' LYS . . . 55.77 59.61 9.37 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-O 120.611 0.244 . . . . 0.0 111.197 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.409 ' HD3' ' HG2' ' B' ' 14' ' ' LYS . 21.1 Cg_endo -60.57 132.19 41.9 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.421 2.081 . . . . 0.0 112.318 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.62 -44.51 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.471 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.078 0.466 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.413 ' N ' ' SD ' ' A' ' 9' ' ' MET . 1.6 mpt? -63.18 134.63 56.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.018 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.657 HG22 ' HG2' ' A' ' 12' ' ' GLU . 26.9 m -63.78 142.14 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 62.5 mm-40 -56.52 -41.87 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.383 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.657 ' HG2' HG22 ' A' ' 10' ' ' VAL . 51.5 mm-40 73.93 -36.26 0.33 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.696 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.428 ' H ' ' C ' ' A' ' 11' ' ' GLU . 27.1 m -77.64 38.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.75 0.31 . . . . 0.0 111.707 -179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.2 tp -177.98 123.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.758 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.686 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 43.9 tt0 178.79 129.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.524 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.61 11.34 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.309 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.686 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 16.7 pt-20 38.83 -146.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.463 0.477 . . . . 0.0 111.426 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -69.21 146.02 52.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 38.8 tt0 -143.62 142.35 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.049 0.452 . . . . 0.0 111.652 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' HG3' ' HE ' ' B' ' 8' ' ' ARG . 49.5 mt-10 -78.52 131.32 36.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.514 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 6.6 m-85 -121.09 134.45 55.26 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 110.731 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.709 ' HA ' HG21 ' B' ' 6' ' ' THR . 0.2 OUTLIER -55.38 138.52 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.247 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.63 ' HB ' ' CZ3' ' A' ' 42' ' ' TRP . 8.3 p -134.66 138.04 50.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 111.439 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -74.08 -56.77 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.424 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.705 ' HA ' HD21 ' A' ' 63' ' ' LEU . 88.1 tttt -175.2 146.79 0.86 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.676 HG12 HD12 ' A' ' 64' ' ' ILE . 23.8 m -65.49 136.03 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.61 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 2.9 mm? -90.46 -19.32 24.02 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 19.0 t70 -179.64 -150.96 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.609 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.535 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 39.6 ptt180 -168.6 138.02 2.32 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.4 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.61 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.7 ptm180 -155.57 133.34 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.086 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -84.66 129.99 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.994 0.426 . . . . 0.0 111.597 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.44 HG22 ' HG2' ' A' ' 33' ' ' LYS . 14.5 m -89.99 -124.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.615 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HG2' HG22 ' A' ' 32' ' ' VAL . 18.4 ptpt -54.02 -24.39 16.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.139 0.495 . . . . 0.0 109.962 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.02 -25.97 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -83.75 139.3 32.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.41 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 14.4 p -85.9 133.93 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.61 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.6 pt-20 -123.26 128.93 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.776 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.673 ' HB3' HG13 ' A' ' 26' ' ' VAL . 9.9 m-85 -102.29 123.8 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.25 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.635 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 16.1 tp -57.79 147.01 29.53 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.609 HD22 ' CG1' ' A' ' 26' ' ' VAL . 97.4 mt -147.01 128.91 15.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -84.89 103.86 14.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.529 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.648 ' HH2' ' HB2' ' B' ' 7' ' ' ALA . 68.2 m95 -82.23 130.11 35.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 111.953 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.616 ' HE3' ' HB ' ' A' ' 22' ' ' VAL . 10.3 mtmp? -65.07 146.45 54.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.285 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.27 3.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -68.83 140.47 55.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.5 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 54.7 m -49.76 138.17 14.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.68 -40.05 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.036 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -56.89 -32.64 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.5 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -74.83 37.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.613 ' HB3' HD13 ' A' ' 39' ' ' LEU . 65.5 m-20 -67.67 143.25 56.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 178.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.9 m -141.23 125.11 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.69 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.461 ' CZ2' HD21 ' A' ' 39' ' ' LEU . 7.7 m95 -80.38 147.83 30.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.288 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.431 ' OE1' ' HB2' ' B' ' 10' ' ' SER . 72.9 mm-40 -142.67 143.97 28.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.84 ' HG2' HD21 ' A' ' 57' ' ' ASN . 9.5 Cg_endo -52.91 132.21 46.04 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.567 2.178 . . . . 0.0 111.798 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 pt-20 -55.62 -34.41 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -52.75 -51.74 59.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.687 0.279 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.84 HD21 ' HG2' ' A' ' 54' ' ' PRO . 80.4 m-20 -70.27 -34.89 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.665 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' B' ' 7' ' ' ALA . 14.5 mt -51.42 120.51 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.032 0.444 . . . . 0.0 111.627 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.505 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.9 t70 -100.09 48.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.764 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' B' ' 5' ' ' GLN . 26.4 p -150.22 60.98 4.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.329 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.0 Cg_exo -54.46 -33.37 77.37 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.433 2.089 . . . . 0.0 112.025 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 8.8 t70 -55.98 -43.62 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.994 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.705 HD21 ' HA ' ' A' ' 25' ' ' LYS . 6.7 mp -65.89 -41.06 92.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.939 0.4 . . . . 0.0 110.215 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.676 HD12 HG12 ' A' ' 26' ' ' VAL . 45.9 mm -56.38 -45.42 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.892 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.623 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.73 -44.55 93.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 97.4 mt-10 -51.42 -41.16 60.57 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.746 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.548 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 36.3 t80 -60.16 -57.53 12.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.278 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.589 ' N ' HD11 ' A' ' 68' ' ' LEU . 6.4 mp -60.61 -25.76 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 12.2 mm100 -50.19 -49.53 52.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.7 p -65.16 -39.37 92.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.524 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 9.2 mm-40 -71.23 -116.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.617 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.602 ' HG3' ' H ' ' A' ' 73' ' ' THR . 19.7 tptm 58.59 -138.76 0.8 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.602 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 67.9 p -69.31 -43.31 74.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.044 0.449 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.68 47.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.945 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 16.5 p-80 -66.5 -136.94 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.959 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -132.18 42.1 3.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.863 0.363 . . . . 0.0 111.056 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 78' ' ' ASP . 6.4 m 52.95 -123.26 2.16 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.715 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.405 ' N ' HG21 ' A' ' 77' ' ' THR . 30.9 m-20 56.89 45.78 20.82 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.751 0.31 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -61.97 136.33 57.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.042 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.474 0.178 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -172.98 49.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.184 0.516 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 84.9 m -163.35 134.04 4.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.58 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.439 ' HD2' HH23 ' B' ' 4' ' ' MLY . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.557 ' HG2' HD12 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -61.0 138.09 58.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.428 -179.572 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.709 HG21 ' HA ' ' A' ' 22' ' ' VAL . 52.5 p -150.83 128.1 11.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.21 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.648 ' HB2' ' HH2' ' A' ' 42' ' ' TRP . . . -117.56 123.78 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.188 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.483 ' HE ' ' HG3' ' A' ' 20' ' ' GLU . 99.6 mtt180 -66.54 143.95 56.74 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.041 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.522 HH12 ' HB3' ' A' ' 42' ' ' TRP . . . . . . . . 0 C--N 1.333 -0.14 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.789 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' SER . . . . . 0.431 ' HB2' ' OE1' ' A' ' 53' ' ' GLU . 34.1 t 62.79 -128.37 0.58 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.377 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 75.5 m -60.07 139.28 57.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 0.0 111.17 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.01 -37.29 91.36 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.764 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.66 140.87 6.79 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.698 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -169.9 -37.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.686 0.279 . . . . 0.0 110.604 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 67.22 136.87 0.05 OUTLIER Pre-proline 0 C--N 1.333 -0.15 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.456 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.02 -44.39 12.88 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.667 2.245 . . . . 0.0 112.428 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.53 -41.87 2.15 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.737 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.584 -179.889 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.9 m80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.81 0.338 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.451 ' HB2' ' HE1' ' A' ' 9' ' ' MET . 25.1 ptm -174.17 35.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.823 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.35 134.74 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.959 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.46 131.99 52.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' O ' HG11 ' A' ' 13' ' ' VAL . 51.0 mt-10 -64.24 -44.4 91.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.406 HG11 ' O ' ' A' ' 12' ' ' GLU . 28.9 m -147.09 132.11 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.0 134.34 44.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -174.34 133.22 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.046 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -56.09 -60.2 3.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.924 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 63.68 128.02 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.45 . . . . 0.0 111.181 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -81.54 -144.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.77 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -160.68 134.77 7.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.757 0.313 . . . . 0.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 38.3 mt-10 -68.82 132.78 47.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.367 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.88 130.03 44.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.393 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.602 HG12 HH13 ' B' ' 4' ' ' MLY . 61.5 t -52.95 118.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.773 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.767 HG22 ' HB3' ' A' ' 40' ' ' LEU . 7.1 p -119.9 135.11 61.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.242 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.82 -54.2 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.955 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -177.55 150.35 0.68 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.323 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -69.09 137.04 25.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.185 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.603 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 97.3 mt -92.84 -45.65 7.9 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.466 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.685 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 29.5 t0 -151.3 -160.83 1.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.546 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.506 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.3 ptt85 -168.79 135.77 1.89 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.305 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 40.1 ptt85 -156.2 134.58 11.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.041 0.448 . . . . 0.0 111.644 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -75.05 147.14 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.029 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.522 HG21 ' N ' ' A' ' 33' ' ' LYS . 26.9 m -127.72 -33.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' N ' HG21 ' A' ' 32' ' ' VAL . 21.5 ptmt -164.18 51.57 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.884 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.9 5.98 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.634 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -85.88 144.78 27.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 111.015 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -107.24 105.65 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.235 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 22.7 pt-20 -89.48 129.4 35.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.611 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.501 ' HB2' HD13 ' A' ' 58' ' ' LEU . 5.8 m-85 -106.7 131.18 54.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.234 0.54 . . . . 0.0 111.968 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.803 HD13 ' HB3' ' A' ' 50' ' ' ASN . 10.7 tp -64.49 143.44 57.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.986 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.767 ' HB3' HG22 ' A' ' 23' ' ' VAL . 72.3 mt -149.96 134.12 17.15 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -91.2 141.04 29.23 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.721 178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.61 ' CZ3' ' HB ' ' A' ' 23' ' ' VAL . 10.8 m95 -126.22 136.28 52.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.07 0.462 . . . . 0.0 111.736 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.633 ' HB2' ' HZ3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -60.09 147.1 40.64 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.5 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.11 -52.9 4.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.606 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.08 141.09 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.707 0.289 . . . . 0.0 110.591 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 t -50.9 143.06 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 64.3 t0 -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 50' ' ' ASN . 8.7 mp0 -58.64 -25.82 63.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.461 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -73.59 34.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.803 ' HB3' HD13 ' A' ' 39' ' ' LEU . 74.3 m-20 -72.93 141.36 47.83 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.692 HG22 HH21 ' B' ' 9' ' ' MLY . 48.4 p -129.66 128.41 42.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.517 ' CH2' ' HB3' ' A' ' 28' ' ' ASP . 10.7 m95 -80.97 108.97 15.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.591 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.642 ' HB2' HD22 ' A' ' 58' ' ' LEU . 31.0 mt-10 -100.9 150.31 36.93 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.348 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 38.4 Cg_exo -55.23 136.73 74.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.141 1.894 . . . . 0.0 111.7 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.99 -39.73 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.62 -44.91 89.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.809 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.557 ' HA ' HH21 ' B' ' 8' ' ' ARG . 3.9 m120 -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.642 HD22 ' HB2' ' A' ' 53' ' ' GLU . 6.3 mt -59.46 127.79 33.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 111.643 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.867 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.0 t70 -102.28 49.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.332 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.629 ' HB2' ' HG3' ' B' ' 5' ' ' GLN . 24.0 p -163.23 65.47 1.51 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.442 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.77 -27.28 42.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.756 2.304 . . . . 0.0 112.112 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 55.2 m-20 -53.29 -46.9 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.579 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 66.5 mt -61.94 -44.75 96.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.241 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.573 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 mp -52.34 -45.93 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.986 0.422 . . . . 0.0 110.471 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -68.65 -41.61 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.015 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 54.0 mt-10 -59.72 -40.39 87.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.782 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -69.26 -45.84 68.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.7 mt -63.32 -20.72 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.95 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 3.4 mm100 -48.83 -43.48 38.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.666 0.27 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.7 m -56.66 -47.28 80.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.064 0.459 . . . . 0.0 109.896 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -75.64 -127.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.329 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' ALA . 65.0 tttp 64.04 125.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.694 0.283 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.9 m 56.76 -85.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.312 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -82.08 48.42 1.24 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.955 0.407 . . . . 0.0 110.168 178.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.404 ' ND1' ' N ' ' A' ' 76' ' ' GLU . 11.0 p80 -49.09 -36.4 18.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.503 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' N ' ' ND1' ' A' ' 75' ' ' HIS . 4.5 tm-20 -169.04 135.64 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.535 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 79' ' ' LYS . 85.3 m -160.8 136.91 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.677 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -76.75 32.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.412 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.452 ' H ' ' C ' ' A' ' 77' ' ' THR . 60.9 pttt 36.56 -141.24 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.682 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.954 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -66.79 134.43 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.192 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.657 HG23 ' HG3' ' B' ' 4' ' ' MLY . 92.1 m -163.21 -63.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.657 ' HG3' HG23 ' B' ' 3' ' ' THR . . . . . . . . 0 C--O 1.233 0.199 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.629 ' HG3' ' HB2' ' A' ' 60' ' ' CYS . 13.1 mp0 63.6 137.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.056 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.7 p -150.15 -35.33 0.16 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.867 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . 60.0 -152.63 0.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.557 HH21 ' HA ' ' A' ' 57' ' ' ASN . 84.8 mtm180 -157.99 133.13 8.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.363 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.692 HH21 HG22 ' A' ' 51' ' ' THR . . . . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.329 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -57.56 112.48 1.45 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m 61.22 127.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.488 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.53 123.99 32.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.277 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.31 41.57 2.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.647 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' B' ' 15' ' ' ALA . 49.9 tptt -174.8 -123.3 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 110.468 -0.197 . . . . 0.0 110.468 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.426 ' N ' ' HD3' ' B' ' 16' ' ' PRO . . . -169.62 59.43 0.36 Allowed Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 120.618 0.247 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' B' ' 15' ' ' ALA . 51.4 Cg_exo -53.52 137.98 66.01 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.565 2.176 . . . . 0.0 112.393 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.82 47.64 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.918 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.438 -179.997 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.858 0.361 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.4 ' HB2' ' HE1' ' A' ' 9' ' ' MET . 49.3 tpp -169.83 46.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.221 0.534 . . . . 0.0 110.387 179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -174.69 -43.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.787 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -67.14 147.22 53.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.494 179.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -158.36 -44.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.566 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' N ' ' HG2' ' A' ' 12' ' ' GLU . 14.4 p -175.58 43.53 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.302 0.572 . . . . 0.0 111.216 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.6 tp -78.86 134.03 36.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.723 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -173.65 145.02 1.15 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.861 0.362 . . . . 0.0 111.204 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -145.11 -47.01 0.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.601 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 4.9 tp10 55.26 38.08 29.86 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.092 179.638 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.585 ' HB3' ' HB3' ' B' ' 8' ' ' ARG . 95.0 mt-10 -97.73 123.8 41.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.976 179.702 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.61 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 55.9 mt-10 -89.52 135.87 33.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -79.29 76.35 5.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.892 -179.715 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.61 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 5.7 m-85 -61.09 132.75 54.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 110.567 179.256 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.564 HG23 ' HZ1' ' B' ' 4' ' ' MLY . 84.0 t -59.77 137.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.831 HG22 ' HB2' ' B' ' 7' ' ' ALA . 47.8 t -125.6 125.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.926 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -76.63 -46.0 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HZ3' ' HB2' ' A' ' 25' ' ' LYS . 4.9 ttmp? -174.33 140.69 0.67 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.042 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.547 ' HA ' HD21 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -67.97 130.01 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.816 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 91.6 mt -77.75 -50.72 11.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.533 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.551 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 30.9 t0 -149.58 -151.66 0.4 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.288 -0.565 . . . . 0.0 112.035 -179.323 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.521 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 42.5 ttp180 -163.97 134.67 4.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.104 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.499 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 14.6 ptm180 -156.14 147.28 22.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.725 179.014 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.486 ' HB ' ' HA ' ' A' ' 36' ' ' VAL . 8.6 p -135.96 141.3 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.607 179.307 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.88 HG22 ' HG3' ' A' ' 33' ' ' LYS . 14.3 m -119.72 -33.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.517 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.88 ' HG3' HG22 ' A' ' 32' ' ' VAL . 52.4 mttp -145.24 51.29 1.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.81 -8.31 7.92 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.571 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 33' ' ' LYS . 8.6 ptpt -89.0 43.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.759 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.486 ' HA ' ' HB ' ' A' ' 31' ' ' VAL . 7.7 p -36.32 95.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.363 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.555 ' OE1' ' HB2' ' A' ' 52' ' ' TRP . 13.8 pt-20 -89.11 126.66 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.581 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.41 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 15.0 m-85 -97.01 133.78 41.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.647 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.816 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.184 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.637 ' N ' HD21 ' A' ' 39' ' ' LEU . 94.6 mt -143.23 129.81 20.19 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.648 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 3.6 tmmm? -85.49 110.16 18.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -92.0 140.39 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.509 ' NZ ' HG22 ' A' ' 22' ' ' VAL . 62.9 pttt -62.52 146.09 52.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.274 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -43.58 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.023 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -78.84 128.77 33.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.61 172.98 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.575 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 35.5 t70 -56.57 -42.47 78.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.3 -40.32 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.37 -24.71 67.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.242 -179.565 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.575 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 85.9 m-20 -45.39 145.85 1.11 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 111.45 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -144.83 130.59 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.409 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.762 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 5.4 m95 -69.32 128.89 38.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 -179.331 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.62 ' HB2' HD23 ' A' ' 58' ' ' LEU . 55.9 mm-40 -114.78 145.91 34.94 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.488 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.7 Cg_endo -54.66 134.61 63.24 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.44 2.093 . . . . 0.0 111.691 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 42.1 tt0 -52.7 -40.18 62.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.547 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.88 -46.87 74.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.456 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 2.8 m120 -64.4 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.96 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 53' ' ' GLU . 12.1 mt -58.7 130.09 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.654 -178.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -111.82 43.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.61 178.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.687 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 56.3 m -125.8 61.39 38.17 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.421 ' HD3' ' C ' ' A' ' 59' ' ' ASP . 50.3 Cg_exo -53.67 -42.57 65.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.36 2.04 . . . . 0.0 112.556 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -67.29 -48.72 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.405 -179.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 43.2 mt -60.47 -45.05 95.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.342 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 60' ' ' CYS . 80.0 mt -55.31 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -55.26 -38.47 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 179.063 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 17.7 tp10 -58.61 -33.5 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.42 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.465 ' HB2' HG23 ' A' ' 26' ' ' VAL . 46.1 t80 -72.67 -55.63 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.248 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.614 HD23 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -64.06 -45.23 89.7 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 28.1 mt-30 -53.51 -42.82 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.589 0.233 . . . . 0.0 111.287 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.099 0.476 . . . . 0.0 110.348 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -84.32 -121.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.911 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt 65.31 66.7 0.53 Allowed 'General case' 0 C--O 1.231 0.097 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.7 p 55.74 54.75 7.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.601 -179.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB3' ' H ' ' A' ' 75' ' ' HIS . . . 64.98 -131.62 0.28 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.61 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.429 ' H ' ' HB3' ' A' ' 74' ' ' ALA . 0.3 OUTLIER -166.69 132.46 2.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.109 0.48 . . . . 0.0 111.491 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -155.22 44.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.502 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 84.6 m 65.75 137.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.286 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -168.04 139.61 2.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.961 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.661 ' HB3' ' HZ3' ' A' ' 79' ' ' LYS . 2.6 mmmp? -61.44 -48.02 83.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.159 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.032 -179.893 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.962 0.41 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' B' ' 2' ' ' ARG . 11.7 tpt180 -63.12 140.05 58.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.416 HG21 ' O ' ' B' ' 2' ' ' ARG . 75.5 p -143.08 133.32 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.564 ' HZ1' HG23 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.687 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 12.2 mm100 -155.43 -41.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.074 179.714 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.497 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 43.6 p 59.42 141.43 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.597 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.831 ' HB2' HG22 ' A' ' 23' ' ' VAL . . . -135.64 119.54 17.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.938 178.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.585 ' HB3' ' HB3' ' A' ' 18' ' ' GLU . 83.0 mtm180 -72.83 125.66 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.302 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.463 ' C ' ' H ' ' B' ' 11' ' ' THR . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.192 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -76.27 44.03 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.425 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.463 ' H ' ' C ' ' B' ' 9' ' ' MLY . 82.7 p -66.96 -54.22 24.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.984 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.07 131.62 30.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.89 52.65 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm 61.26 47.96 6.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.787 0.327 . . . . 0.0 110.7 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 65.91 132.72 0.04 OUTLIER Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.305 -179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.37 137.18 79.26 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.512 2.141 . . . . 0.0 112.339 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.81 44.26 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.456 -1.191 . . . . 0.0 112.407 179.946 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.509 0.195 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.0 ptm 39.86 47.34 1.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.627 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.01 133.45 25.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.029 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -69.21 -149.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -77.25 -50.87 11.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.805 0.336 . . . . 0.0 111.124 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.8 t 57.35 50.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.16 0.505 . . . . 0.0 110.804 -179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.4 tp -173.37 50.19 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -148.67 135.95 20.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -172.1 -41.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' N ' ' HG2' ' A' ' 16' ' ' GLU . 39.3 tp10 56.43 44.62 24.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.112 0.482 . . . . 0.0 110.556 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' HB3' ' HD3' ' B' ' 8' ' ' ARG . 56.6 mt-10 -80.46 46.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.371 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 5.5 tp10 -58.31 131.53 50.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.792 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 40.7 mt-10 -81.65 117.55 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.006 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' CD2' HH13 ' B' ' 9' ' ' MLY . 4.3 m-85 -91.22 131.35 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.712 179.516 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.403 ' HB ' ' HD2' ' A' ' 43' ' ' LYS . 51.3 t -62.11 123.07 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 111.406 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.9 t -96.66 128.32 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 179.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -72.68 -49.54 30.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -178.41 135.63 0.15 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.491 0.662 . . . . 0.0 111.161 -179.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.07 125.49 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.703 HD11 HD12 ' A' ' 39' ' ' LEU . 91.2 mt -86.24 -53.4 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.602 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 55.8 t0 -155.57 146.33 22.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.383 -0.527 . . . . 0.0 112.186 -178.758 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -96.84 146.34 25.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.129 179.151 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.473 ' O ' HG21 ' A' ' 31' ' ' VAL . 78.0 ttt180 -153.96 161.82 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.081 0.467 . . . . 0.0 111.486 -178.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.473 HG21 ' O ' ' A' ' 30' ' ' ARG . 9.8 t -147.95 138.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.373 179.786 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG11 ' O ' ' A' ' 32' ' ' VAL . 6.3 p -156.61 128.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.639 179.289 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.644 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 4.9 ttmp? 61.13 37.01 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.367 0.603 . . . . 0.0 109.857 -178.793 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.83 -23.76 2.97 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.566 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.37 148.63 27.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 111.142 -179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.586 HG13 ' HE1' ' A' ' 38' ' ' TYR . 3.1 t -115.52 78.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.613 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 12.5 pt-20 -87.58 126.61 35.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.49 . . . . 0.0 111.205 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.586 ' HE1' HG13 ' A' ' 36' ' ' VAL . 25.0 m-85 -110.02 145.73 36.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.387 178.24 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.825 HD21 ' N ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -88.35 137.02 32.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.784 -179.731 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.825 ' N ' HD21 ' A' ' 39' ' ' LEU . 1.8 mm? -129.06 135.15 48.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.578 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.516 ' HB2' HD22 ' A' ' 27' ' ' LEU . 3.0 tmtp? -86.1 65.68 9.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.373 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.68 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 47.7 m95 -45.04 131.99 7.16 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 -178.522 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 14.6 ptmm? -63.25 143.69 57.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.895 -179.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.03 -40.68 1.91 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.106 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.41 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 m-85 -74.15 133.24 42.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 111.231 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -61.11 165.91 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.532 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 12.0 p-10 -53.03 -46.22 68.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.826 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.6 -37.59 87.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.408 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . 53.3 m-20 -56.32 -32.45 64.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.447 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.68 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 83.1 m-20 -45.66 143.45 1.98 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 110.926 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.473 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 5.9 t -135.88 132.58 36.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.811 -179.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.662 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 7.0 m95 -70.61 131.1 43.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.519 ' HB3' HD23 ' A' ' 58' ' ' LEU . 40.5 tt0 -126.84 136.92 29.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.073 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.624 ' HG2' HD21 ' A' ' 57' ' ' ASN . 11.5 Cg_endo -54.38 137.54 72.02 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.537 2.158 . . . . 0.0 111.957 179.763 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HA ' ' CG ' ' A' ' 58' ' ' LEU . 4.8 tm-20 -51.05 -33.82 27.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.489 -179.356 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -49.75 -52.49 31.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.505 -179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.624 HD21 ' HG2' ' A' ' 54' ' ' PRO . 75.0 m-20 -75.18 -32.98 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.279 -179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.585 ' CD1' ' HB2' ' A' ' 38' ' ' TYR . 26.4 mt -50.26 156.5 0.82 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.249 0.547 . . . . 0.0 111.921 -179.074 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' B' ' 5' ' ' GLN . 56.4 m-20 -142.93 45.21 1.58 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.575 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.67 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 78.7 m -132.51 54.91 15.1 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.27 -38.75 89.52 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.234 1.956 . . . . 0.0 111.907 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -63.51 -48.13 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 43.8 mt -64.3 -45.32 88.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 60' ' ' CYS . 87.6 mt -53.1 -38.74 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.18 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.577 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.47 -45.65 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.273 178.825 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.5 -39.31 83.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.807 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.53 -46.9 85.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.197 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.37 -38.71 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.715 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 27.6 mt-30 -52.36 -38.73 59.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.352 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.0 t -56.72 -49.04 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.009 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -70.48 -58.35 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.881 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER 51.96 -118.76 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.984 -179.838 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.408 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 81.8 m -60.95 -38.42 85.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.96 0.409 . . . . 0.0 110.321 179.263 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.86 -45.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.011 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -171.99 47.13 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.256 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.513 ' HG2' HG21 ' A' ' 77' ' ' THR . 88.0 tt0 -63.65 136.0 57.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.896 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.513 HG21 ' HG2' ' A' ' 76' ' ' GLU . 42.9 p 58.95 136.25 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.042 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -172.57 -47.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HZ2' ' HB3' ' A' ' 79' ' ' LYS . 0.3 OUTLIER -174.25 -144.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 179.798 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.891 179.996 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.491 0.186 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -59.59 -42.75 93.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.7 0.286 . . . . 0.0 111.232 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.466 ' O ' ' HB3' ' B' ' 4' ' ' MLY . 5.5 t -63.68 122.19 15.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 0.0 111.46 -179.64 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.467 ' HG2' ' H ' ' B' ' 5' ' ' GLN . . . . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.879 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.67 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 10.2 mm100 64.03 139.15 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.887 179.272 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.536 ' OG1' ' HB3' ' A' ' 20' ' ' GLU . 72.6 p -119.38 -162.31 0.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.522 ' HB3' HD21 ' A' ' 58' ' ' LEU . . . -174.11 43.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.979 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.792 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 61.1 mtt-85 32.93 -128.27 0.06 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.376 179.048 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.553 ' HG2' ' O ' ' B' ' 9' ' ' MLY . . . . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 121.438 0.637 . . . . 0.0 109.664 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.2 t 55.13 37.17 28.49 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.1 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 86.7 m 63.03 136.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.548 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.82 138.35 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.573 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.0 141.98 5.62 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.624 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -163.79 -75.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.577 0.227 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.402 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . 178.69 137.29 0.25 Allowed Pre-proline 0 CA--C 1.528 0.109 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 22.0 Cg_exo -64.88 -137.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.776 2.317 . . . . 0.0 112.069 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.85 -45.11 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.607 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.534 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.1 mtt 58.48 45.76 16.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.412 ' O ' HG21 ' A' ' 10' ' ' VAL . 27.5 m -61.58 137.19 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.702 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -171.36 140.16 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.026 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HG3' HG11 ' A' ' 13' ' ' VAL . 11.4 pt-20 -169.62 -46.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.425 HG11 ' HG3' ' A' ' 12' ' ' GLU . 35.7 m -74.14 139.22 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.26 132.32 52.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.32 125.05 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 5.2 mm-40 -87.88 49.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.297 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 40.78 -130.74 0.39 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.391 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -76.37 54.81 0.94 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.738 0.304 . . . . 0.0 111.4 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 39.3 tt0 -57.04 142.55 41.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -179.805 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -82.19 79.32 8.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' O ' HG22 ' A' ' 23' ' ' VAL . 5.5 m-85 -60.12 140.68 56.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.608 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.741 ' HA ' HG21 ' B' ' 6' ' ' THR . 54.4 t -58.32 -39.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.474 -179.357 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 21' ' ' TYR . 21.0 t 67.07 135.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.387 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 39.3 tt0 -78.5 -60.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.56 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 5.8 ttpm? 175.73 146.91 0.09 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.594 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 38' ' ' TYR . 30.8 m -61.31 130.54 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.647 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.524 HD13 ' HG ' ' A' ' 39' ' ' LEU . 93.8 mt -86.45 -19.85 29.0 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.456 ' HB3' ' H ' ' A' ' 29' ' ' ARG . 49.5 m-20 -160.39 -154.5 0.38 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.456 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 44.7 ttp85 -169.0 113.84 0.57 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.485 -179.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.558 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.9 ptt180 -155.86 126.91 7.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.994 178.741 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.909 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 13.2 p -88.41 142.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.153 0.502 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' N ' HG21 ' A' ' 31' ' ' VAL . 33.4 m -139.02 143.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.018 179.704 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.581 ' HE2' ' HZ2' ' A' ' 35' ' ' LYS . 24.4 pttm 45.24 40.74 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.522 0.514 . . . . 0.0 111.667 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.89 -26.25 6.85 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.665 0.626 . . . . 0.0 114.665 178.474 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.599 ' HD3' ' HB3' ' A' ' 54' ' ' PRO . 8.9 ptpp? -104.68 128.79 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.726 0.763 . . . . 0.0 111.609 -178.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.909 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 2.7 t -72.47 124.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.936 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -106.5 127.04 53.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 110.542 178.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.903 ' HB3' HG13 ' A' ' 26' ' ' VAL . 54.6 m-85 -108.97 121.84 45.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.007 179.78 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 19.5 tp -59.92 142.05 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.646 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.619 HD22 ' CG1' ' A' ' 26' ' ' VAL . 93.0 mt -144.45 130.98 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.625 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 6.0 tmtm? -80.33 75.92 7.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.273 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HZ2' ' HB2' ' A' ' 53' ' ' GLU . 56.7 m95 -52.34 124.05 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.774 -178.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -55.6 142.67 32.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.218 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.31 -43.09 2.46 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.469 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 2.5 m-85 -72.96 137.65 45.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.892 0.377 . . . . 0.0 111.306 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.41 154.95 9.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.01 -34.99 31.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.91 -38.63 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.469 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 31.0 m-20 -60.68 -18.44 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.612 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.625 ' ND2' ' HA ' ' A' ' 41' ' ' LYS . 3.0 m120 -43.11 144.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 111.43 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -146.61 130.71 17.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.447 -179.241 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.481 ' CZ3' ' HG2' ' A' ' 30' ' ' ARG . 11.2 m95 -70.34 119.53 14.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.783 179.412 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.662 ' HB3' HD22 ' A' ' 58' ' ' LEU . 20.4 tp10 -109.55 130.85 22.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.32 -179.04 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.655 ' HG2' HD21 ' A' ' 57' ' ' ASN . 11.8 Cg_endo -55.32 140.0 81.65 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.718 2.279 . . . . 0.0 112.062 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HA ' HD13 ' A' ' 58' ' ' LEU . 4.5 tm-20 -53.35 -35.28 60.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.413 -179.503 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -51.37 -49.46 61.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.655 HD21 ' HG2' ' A' ' 54' ' ' PRO . 80.6 m-20 -71.05 -36.74 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.042 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 53' ' ' GLU . 23.8 mt -52.38 129.37 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.398 -179.189 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.411 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -117.58 45.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.515 ' SG ' HD13 ' A' ' 63' ' ' LEU . 24.7 p -160.26 62.1 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.084 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . 0.462 ' HA ' HD11 ' A' ' 64' ' ' ILE . 61.9 Cg_exo -51.84 -24.94 19.81 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.15 -39.13 63.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.515 HD13 ' SG ' ' A' ' 60' ' ' CYS . 81.6 mt -69.38 -40.38 77.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.717 0.294 . . . . 0.0 110.392 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.463 ' O ' HD12 ' A' ' 68' ' ' LEU . 2.4 mp -57.68 -47.6 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.744 179.167 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.44 -41.42 96.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.272 179.078 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -55.55 -39.32 70.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.563 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 20.1 t80 -58.09 -56.94 15.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.653 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.607 ' N ' HD11 ' A' ' 68' ' ' LEU . 5.5 mp -60.5 -42.97 97.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.496 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.511 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 73.9 mt-30 -52.65 -38.91 61.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 110.115 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.4 t -63.5 -44.15 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.076 179.155 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -82.64 38.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.168 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.524 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 6.5 ttpm? -61.95 119.71 9.36 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.442 HG23 ' HG2' ' A' ' 72' ' ' LYS . 9.0 t 38.3 36.86 0.13 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.498 0.499 . . . . 0.0 110.95 -179.345 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.17 124.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.119 -179.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' H ' ' HD1' ' A' ' 75' ' ' HIS . 19.7 p-80 -63.45 -40.22 96.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.3 tp10 -171.44 139.17 1.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.601 -179.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.6 p 50.77 -139.22 0.95 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -173.59 -36.81 0.01 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.548 0.213 . . . . 0.0 111.371 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.659 ' HB2' ' HZ3' ' A' ' 79' ' ' LYS . 10.1 mtmp? 59.45 46.35 12.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.914 179.944 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' B' ' 3' ' ' THR . . . . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.296 0.093 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.738 ' HB3' ' NH1' ' B' ' 2' ' ' ARG . 0.1 OUTLIER 73.7 -35.23 0.31 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 122.627 0.371 . . . . 0.0 111.275 179.896 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.455 ' H ' ' C ' ' B' ' 1' ' ' ALA . 97.3 m -162.53 140.92 8.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.673 0.273 . . . . 0.0 110.796 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.558 ' HD2' ' N ' ' B' ' 4' ' ' MLY . . . . . . . . 0 CA--C 1.531 0.232 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.259 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.42 HE21 ' HA ' ' B' ' 5' ' ' GLN . 2.5 mm100 -63.47 130.1 42.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.194 -179.328 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.741 HG21 ' HA ' ' A' ' 22' ' ' VAL . 37.8 p -155.98 140.73 17.06 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.581 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.454 ' HB2' ' HA ' ' A' ' 58' ' ' LEU . . . -135.04 120.44 19.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.159 178.891 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 83.9 mtm180 -80.02 127.28 32.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.449 -179.327 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.605 ' HG2' HG22 ' B' ' 11' ' ' THR . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 179.243 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 47.7 t -56.28 118.37 4.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.746 0.308 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.605 HG22 ' HG2' ' B' ' 9' ' ' MLY . 40.9 p -154.89 -42.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.43 135.99 47.29 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.642 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.82 -127.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.711 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -163.99 -39.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.89 136.04 1.93 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.77 -42.3 20.72 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.538 2.159 . . . . 0.0 112.576 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.3 45.18 94.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.362 -179.961 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.7 m80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.905 0.384 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.7 ttt -66.66 -42.87 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.1 m -65.99 -160.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.293 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.472 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -78.69 127.56 32.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.991 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 37.65 -147.71 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.646 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.434 ' O ' HG21 ' A' ' 13' ' ' VAL . 27.2 m -96.6 133.82 36.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.968 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.34 133.67 49.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.5 -179.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -170.26 132.68 1.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.757 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 16.1 tp10 -71.69 -120.7 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.769 -179.735 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 39.6 tt0 -169.9 132.26 1.11 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.646 0.26 . . . . 0.0 110.813 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 42.92 43.22 3.44 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.591 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 89.1 tt0 -94.63 151.72 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.049 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' HB3' ' CB ' ' B' ' 6' ' ' THR . 52.4 mt-10 -74.15 135.05 42.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.571 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.43 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 7.2 m-85 -124.88 139.49 53.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.411 . . . . 0.0 111.484 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' B' ' 4' ' ' MLY . 99.2 t -63.18 144.65 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.158 179.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.7 HG22 ' HB3' ' A' ' 40' ' ' LEU . 5.9 p -153.11 128.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.479 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.78 -52.65 14.17 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HZ1' ' HG3' ' A' ' 66' ' ' GLU . 21.3 ttmm -172.96 146.11 1.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.146 -0.221 . . . . 0.0 111.507 -178.483 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.512 HG11 ' HG ' ' A' ' 40' ' ' LEU . 25.2 m -63.66 135.47 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.577 HD22 ' HB2' ' A' ' 41' ' ' LYS . 94.0 mt -76.17 -23.78 54.74 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.252 179.601 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.52 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 30.2 t0 -174.67 -145.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.52 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.52 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 74.2 ttt180 -168.47 139.89 2.7 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.094 -179.026 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.1 ptm180 -155.41 150.05 26.28 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.077 0.465 . . . . 0.0 111.964 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -121.05 127.37 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.376 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.627 HG22 ' HG2' ' A' ' 33' ' ' LYS . 33.6 m -92.87 -42.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 111.674 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.627 ' HG2' HG22 ' A' ' 32' ' ' VAL . 24.3 pttm -170.11 50.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.242 0.544 . . . . 0.0 109.77 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.25 -27.35 15.93 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -178.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -64.42 153.06 39.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.542 -0.329 . . . . 0.0 110.362 179.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.537 HG13 ' HE1' ' A' ' 38' ' ' TYR . 3.3 t -124.42 70.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.218 -179.335 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.1 pt-20 -88.02 131.4 34.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.088 0.47 . . . . 0.0 111.658 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.537 ' HE1' HG13 ' A' ' 36' ' ' VAL . 50.8 m-85 -113.7 144.69 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.968 179.485 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.556 ' HG ' HD11 ' A' ' 27' ' ' LEU . 21.2 tp -87.48 149.77 24.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.7 ' HB3' HG22 ' A' ' 23' ' ' VAL . 4.2 mp -148.16 137.46 22.11 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.905 -179.279 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' HD22 ' A' ' 27' ' ' LEU . 17.0 tppt? -83.72 72.62 10.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.074 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.509 ' HH2' ' HB1' ' B' ' 7' ' ' ALA . 59.2 m95 -55.33 133.44 49.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.209 0.528 . . . . 0.0 111.708 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.55 142.82 56.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.742 -179.511 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.86 -45.8 2.79 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.645 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.79 135.8 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.455 ' HB2' ' OE2' ' A' ' 48' ' ' GLU . 51.7 m -55.68 150.42 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -54.92 -39.7 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' OE2' ' HB2' ' A' ' 46' ' ' SER . 1.1 pp20? -62.41 -29.27 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.59 -29.61 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.653 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -43.48 141.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -142.76 131.47 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.952 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.539 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.7 m95 -66.79 140.89 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.786 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.693 ' HG3' HD22 ' A' ' 58' ' ' LEU . 5.1 pt-20 -141.74 141.76 23.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -178.141 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.642 ' HG2' HD21 ' A' ' 57' ' ' ASN . 10.9 Cg_endo -54.25 139.62 72.7 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.147 2.565 . . . . 0.0 112.658 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.505 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.8 tt0 -58.8 -24.67 62.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.922 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -57.95 -51.65 68.77 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.642 HD21 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -69.44 -34.43 74.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.543 -179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.693 HD22 ' HG3' ' A' ' 53' ' ' GLU . 7.7 mt -54.49 125.43 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.791 -178.477 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.804 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 32.7 t70 -107.38 44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.286 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.433 ' SG ' HD13 ' A' ' 63' ' ' LEU . 25.0 p -164.09 60.67 0.86 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.47 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.6 -24.23 35.85 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.604 2.203 . . . . 0.0 111.877 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.595 ' HB2' ' NE2' ' B' ' 5' ' ' GLN . 1.5 m-20 -52.77 -38.58 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.582 ' CD1' HG12 ' A' ' 23' ' ' VAL . 50.7 mt -66.64 -46.35 76.06 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 179.807 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.464 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 86.3 mt -55.55 -48.12 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.494 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -66.02 -39.56 90.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.964 178.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.449 ' HG3' ' HZ1' ' A' ' 25' ' ' LYS . 43.3 tp10 -58.59 -42.56 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.673 179.637 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.2 t80 -63.72 -45.05 91.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.436 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 73.9 mt -65.04 -39.75 93.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.687 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.3 mm-40 -53.97 -35.92 62.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.305 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -55.4 -51.51 66.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -76.39 -53.93 7.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.433 ' O ' ' HB ' ' A' ' 73' ' ' THR . 23.7 ttmm 53.04 53.79 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.568 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 76.7 m 75.57 -54.8 0.63 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.525 -179.188 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.2 -131.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.03 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -174.59 127.32 0.32 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.789 0.328 . . . . 0.0 110.617 179.362 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -152.39 -41.06 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.469 HG22 ' N ' ' A' ' 78' ' ' ASP . 15.3 t 41.09 -142.42 0.07 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.434 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.469 ' N ' HG22 ' A' ' 77' ' ' THR . 63.2 t0 -173.68 51.82 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.036 0.446 . . . . 0.0 110.451 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.797 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -55.79 129.76 40.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.861 -179.713 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.459 ' H ' ' HZ2' ' A' ' 79' ' ' LYS . 40.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.46 -37.94 89.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.451 HG21 ' N ' ' B' ' 4' ' ' MLY . 7.6 t -163.93 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.5 -179.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . 0.451 ' N ' HG21 ' B' ' 3' ' ' THR . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.048 0.451 . . . . 0.0 111.616 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.595 ' NE2' ' HB2' ' A' ' 62' ' ' ASP . 10.7 mm100 -84.35 137.49 33.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.6 179.434 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.573 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 34.6 p -138.66 121.56 16.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.804 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -91.28 -15.74 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.406 ' HG3' HH11 ' B' ' 8' ' ' ARG . 46.6 ttm-85 73.04 -15.8 0.5 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.791 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.501 ' HA ' ' CD ' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.839 -179.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 39.8 t -166.41 41.03 0.05 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.91 0.386 . . . . 0.0 111.129 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 89.8 m -73.06 -52.11 15.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.805 179.637 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.86 -147.31 20.55 Favored Glycine 0 C--N 1.33 0.238 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.773 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.06 133.07 1.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.472 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -175.56 132.21 0.28 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.792 0.33 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 133.35 88.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . 0.454 ' HB2' ' H ' ' B' ' 17' ' ' GLY . 69.2 Cg_endo -72.66 -137.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.539 2.16 . . . . 0.0 112.161 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . 0.454 ' H ' ' HB2' ' B' ' 16' ' ' PRO . . . -64.44 -45.73 92.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.305 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.524 179.886 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.409 ' H2 ' ' HD1' ' A' ' 8' ' ' HIS . 18.7 p-80 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.586 0.231 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.8 mtt -62.83 -46.98 85.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 110.633 179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.8 m -150.14 -141.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.587 179.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 64.52 136.05 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.1 0.476 . . . . 0.0 111.419 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -172.72 -45.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.48 149.65 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.797 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' C ' ' H ' ' A' ' 16' ' ' GLU . 95.0 mt -49.11 132.27 19.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.82 -179.785 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -75.91 32.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.893 -179.267 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 14' ' ' LEU . 5.0 mm-40 -80.46 120.41 24.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.563 179.261 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 177.73 144.34 0.11 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -62.81 -112.59 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.562 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.4 tt0 58.63 144.09 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.203 0.525 . . . . 0.0 112.295 179.041 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.537 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 1.3 mp0 -68.81 77.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.353 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -61.07 140.58 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.8 t -55.64 142.85 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.674 -179.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.811 HG12 ' HB3' ' A' ' 40' ' ' LEU . 95.3 t -138.66 133.48 42.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.8 179.731 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.99 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.589 ' HD3' HD23 ' A' ' 63' ' ' LEU . 46.3 mmtm -156.57 144.51 19.46 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 111.489 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 67' ' ' PHE . 6.5 t -64.89 117.93 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.716 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.866 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 7.5 mp -75.22 -59.46 2.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.562 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 38.5 t70 -164.06 150.59 11.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.414 HH11 ' HG3' ' A' ' 29' ' ' ARG . 36.2 ptt85 -112.83 148.01 35.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.817 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.22 147.23 23.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.013 0.435 . . . . 0.0 112.061 -179.351 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 35' ' ' LYS . 39.0 t -108.72 133.31 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.023 178.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.534 HG21 ' N ' ' A' ' 33' ' ' LYS . 32.7 m -80.85 -37.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.941 0.401 . . . . 0.0 111.62 -179.428 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' N ' HG21 ' A' ' 32' ' ' VAL . 18.4 ptpt -165.91 -30.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.3 0.572 . . . . 0.0 110.015 -179.769 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.39 -17.47 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.426 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.503 ' C ' HG21 ' A' ' 36' ' ' VAL . 12.8 mmmm -71.95 -161.83 0.08 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.556 HG13 ' HB2' ' A' ' 55' ' ' GLU . 6.4 t -153.71 137.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.179 179.407 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.637 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 16.7 pt-20 -152.15 132.43 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.205 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 5.1 m-85 -114.37 143.92 44.11 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.615 -179.708 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.866 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.48 134.41 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.746 179.285 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.811 ' HB3' HG12 ' A' ' 23' ' ' VAL . 6.4 mp -140.87 132.41 27.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.566 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.587 ' HB2' HD13 ' A' ' 27' ' ' LEU . 48.0 tptt -79.06 107.05 11.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.466 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.6 m95 -81.18 131.79 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 111.004 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -70.56 144.6 51.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.453 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.27 -50.25 3.95 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.11 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.65 145.38 54.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.616 0.246 . . . . 0.0 110.655 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 49' ' ' ASP . 78.9 p -48.93 144.96 4.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.513 ' HB3' ' HZ2' ' A' ' 41' ' ' LYS . 27.6 m-20 -55.21 -45.29 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.406 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.83 -19.31 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.476 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 54.3 t0 -75.23 41.52 0.18 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.114 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -64.96 139.19 58.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.935 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.466 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 87.6 m -138.41 130.85 28.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.956 0.408 . . . . 0.0 111.556 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.718 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 11.9 m95 -95.46 128.93 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.305 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.637 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 42.8 mt-10 -95.41 144.81 28.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.623 ' HD2' HD21 ' A' ' 57' ' ' ASN . 56.0 Cg_endo -71.15 35.14 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.565 2.177 . . . . 0.0 114.246 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.556 ' HB2' HG13 ' A' ' 36' ' ' VAL . 42.5 tt0 67.01 -35.13 0.24 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 178.611 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 54' ' ' PRO . 23.0 pt-20 -71.21 -50.83 28.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.623 HD21 ' HD2' ' A' ' 54' ' ' PRO . 77.6 m-20 -59.59 -20.29 54.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.304 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.572 ' H ' HD21 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -52.54 146.13 10.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.017 0.437 . . . . 0.0 111.373 -179.458 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.521 ' OD2' ' HG3' ' B' ' 8' ' ' ARG . 56.2 m-20 -151.55 46.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.097 179.564 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' B' ' 5' ' ' GLN . 25.4 p -145.06 62.17 8.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.537 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.86 -38.85 58.46 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.853 2.369 . . . . 0.0 112.351 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.465 ' OD2' ' HB3' ' B' ' 5' ' ' GLN . 2.2 p30 -60.3 -41.94 94.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.08 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.589 HD23 ' HD3' ' A' ' 25' ' ' LYS . 42.0 mt -70.82 -45.01 65.35 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.775 0.321 . . . . 0.0 110.695 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.41 HD11 HG22 ' A' ' 64' ' ' ILE . 68.6 mt -52.98 -43.54 47.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 -179.88 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.34 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.55 -41.01 93.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.509 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 27.4 t80 -62.39 -45.43 93.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.624 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.1 mt -76.1 -37.71 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -57.54 -39.88 77.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.5 t -59.41 -49.75 76.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.297 -179.742 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -61.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.288 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.3 tptt 53.83 -113.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.078 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.7 m -61.47 -39.68 91.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.883 0.373 . . . . 0.0 110.61 179.43 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -169.18 -46.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -174.89 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 77' ' ' THR . 22.9 pt-20 -58.03 -37.66 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.449 ' O ' ' O ' ' A' ' 76' ' ' GLU . 14.3 t 50.39 130.41 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 O-C-N 124.138 0.899 . . . . 0.0 112.86 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -173.44 130.13 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.701 179.711 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -176.46 47.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.491 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.87 -179.896 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -171.89 133.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 91.1 m -65.85 121.9 16.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.788 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 179.965 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.641 ' NE2' ' H ' ' B' ' 5' ' ' GLN . 0.0 OUTLIER -48.53 138.44 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.311 179.87 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.545 HG21 ' O ' ' B' ' 5' ' ' GLN . 30.0 p -148.72 -157.61 0.83 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.091 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.594 ' HB2' HG22 ' A' ' 23' ' ' VAL . . . 178.66 129.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.576 179.715 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 84.9 mtm180 -70.92 140.74 51.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.929 -179.388 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' MLY . . . . . 0.535 ' C ' ' H ' ' B' ' 11' ' ' THR . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.185 179.162 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 39.2 t -74.91 36.11 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.557 -179.592 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.535 ' H ' ' C ' ' B' ' 9' ' ' MLY . 89.8 m -95.54 -47.4 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.783 0.325 . . . . 0.0 111.046 179.655 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.5 -137.28 42.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.517 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . 0.433 ' C ' ' H ' ' B' ' 15' ' ' ALA . . . 179.89 -136.44 2.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.415 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.534 ' HZ2' ' HB3' ' B' ' 14' ' ' LYS . 6.5 ttpm? 73.36 -36.67 0.36 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.736 0.415 . . . . 0.0 111.659 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' B' ' 13' ' ' GLY . . . 66.25 134.6 0.04 OUTLIER Pre-proline 0 N--CA 1.462 0.17 0 CA-C-O 120.8 0.333 . . . . 0.0 111.646 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.17 137.43 47.91 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.542 2.161 . . . . 0.0 112.272 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.61 135.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.459 -1.189 . . . . 0.0 112.684 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.626 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.1 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.28 69.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.249 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.626 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 6.2 m-85 -61.44 138.42 58.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.688 0.28 . . . . 0.0 110.507 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.0 t -55.81 134.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' B' ' 7' ' ' ALA . 58.3 t -117.33 131.38 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -76.79 -53.94 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp 177.87 142.64 0.1 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.028 HG12 HD21 ' A' ' 40' ' ' LEU . 2.4 m -65.81 129.7 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' HG ' ' A' ' 39' ' ' LEU . 5.6 mp -78.46 -42.71 29.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.792 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' HB2' ' CH2' ' A' ' 52' ' ' TRP . 55.2 m-20 -153.67 -146.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.994 0.426 . . . . 0.0 112.104 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.9 ttp85 -168.44 131.85 1.51 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.561 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.3 ptt180 -155.48 136.61 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.96 0.409 . . . . 0.0 111.434 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 35' ' ' LYS . 43.7 t -106.66 143.56 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.714 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.769 HG22 ' HG3' ' A' ' 33' ' ' LYS . 3.7 p -151.2 134.29 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.228 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.769 ' HG3' HG22 ' A' ' 32' ' ' VAL . 52.9 mttm 76.05 -37.15 0.3 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.66 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 144.92 -11.65 1.88 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.689 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 18.7 ptmt -79.74 -157.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.049 0.452 . . . . 0.0 111.244 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.674 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 46.3 t -148.7 138.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.6 130.61 11.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 111.528 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -115.18 130.05 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.083 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.626 ' HG ' HD13 ' A' ' 27' ' ' LEU . 9.8 tp -62.24 139.81 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.028 HD21 HG12 ' A' ' 26' ' ' VAL . 93.4 mt -143.88 130.55 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -83.57 123.42 29.75 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.25 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 21.6 m95 -101.12 131.75 46.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.567 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 5.0 ttmp? -66.2 144.92 56.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.527 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.19 -49.19 3.73 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.781 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.09 139.54 44.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -54.49 144.14 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -55.26 -31.4 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -58.21 -30.1 66.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.42 41.66 0.25 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.714 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.52 143.09 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 111.218 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 t -158.31 121.16 3.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.204 0.526 . . . . 0.0 110.887 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.455 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.7 m95 -77.34 112.3 13.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.483 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.639 ' HB2' HD21 ' A' ' 58' ' ' LEU . 50.2 mm-40 -95.25 146.11 30.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.469 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.674 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.5 Cg_endo -57.14 135.1 68.5 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.452 2.101 . . . . 0.0 111.862 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 38.6 tt0 -54.37 -42.55 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.562 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 11.7 pt-20 -55.03 -43.42 73.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.531 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m120 -66.08 -37.67 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 53' ' ' GLU . 15.1 mt -57.53 129.01 39.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -110.9 50.0 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.745 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' B' ' 5' ' ' GLN . 25.7 p -152.4 62.32 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.018 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.07 -33.13 82.5 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.609 2.206 . . . . 0.0 112.144 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.572 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 55.8 mt -63.71 -42.95 97.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.499 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.781 HD13 HG11 ' A' ' 26' ' ' VAL . 48.5 mm -55.03 -54.9 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -54.9 -36.55 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.578 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 9.8 tm-20 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.3 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.9 t80 -70.61 -52.39 21.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.092 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.1 mm? -73.07 -17.85 61.38 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 111.417 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 52.4 tt0 -58.93 -37.61 77.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.446 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 p -80.19 -45.02 18.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.933 0.397 . . . . 0.0 111.295 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.317 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.572 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mp0 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.999 0.428 . . . . 0.0 111.763 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.4 p -150.04 144.14 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.686 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -136.77 127.81 27.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.41 ' HG2' HH11 ' B' ' 8' ' ' ARG . 69.7 mtt-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.325 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 8' ' ' ARG . 67.8 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.761 0.315 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 56.6 mp0 -80.29 135.65 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -125.43 139.05 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -59.08 143.81 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.516 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.962 HG21 HD23 ' A' ' 40' ' ' LEU . 6.4 p -143.13 133.14 21.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.059 0.457 . . . . 0.0 111.296 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -78.33 -54.23 6.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.141 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.666 ' HA ' HD23 ' A' ' 63' ' ' LEU . 87.1 tttt -172.62 146.04 1.63 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.676 0.274 . . . . 0.0 111.437 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.609 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 20.4 m -68.22 137.14 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 111.704 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.708 HD13 ' HG ' ' A' ' 39' ' ' LEU . 5.5 mp -83.52 -23.76 31.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.843 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.3 t70 179.95 -149.35 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.832 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.502 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.7 ptt180 -168.67 142.37 3.06 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.5 ptm180 -155.11 128.87 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.024 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 23.0 t -78.13 142.26 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.299 0.571 . . . . 0.0 111.742 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.403 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 34.9 m -147.07 135.39 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.016 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.496 ' NZ ' ' HD2' ' A' ' 35' ' ' LYS . 22.5 pttp 44.28 37.62 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.857 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.99 -32.42 4.34 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.826 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HD2' ' NZ ' ' A' ' 33' ' ' LYS . 63.6 mttp -90.47 131.06 36.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 112.0 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 12.1 p -81.58 140.87 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.435 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 12.7 pt-20 -128.82 127.63 42.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 29' ' ' ARG . 7.8 m-85 -100.21 143.89 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 40' ' ' LEU . 8.3 tp -82.94 142.64 31.26 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.962 HD23 HG21 ' A' ' 23' ' ' VAL . 6.5 mp -134.34 131.64 38.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HB2' HD11 ' A' ' 27' ' ' LEU . 56.0 tptt -77.11 74.49 3.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.856 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 67.4 m95 -56.09 124.52 18.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 0.0 111.529 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -65.16 141.62 58.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.554 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.73 -43.06 2.33 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.282 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 1.5 m-85 -69.19 138.17 53.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -56.82 152.97 11.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -51.95 -45.33 64.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.716 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.37 -34.25 77.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' OD1' ' HD2' ' A' ' 45' ' ' PHE . 9.8 t70 -62.0 -25.72 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.401 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.677 ' HB3' HD11 ' A' ' 39' ' ' LEU . 77.1 m-20 -42.83 136.06 2.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.959 0.409 . . . . 0.0 110.723 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.3 m -131.29 146.85 52.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.892 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.557 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.4 m95 -89.77 122.78 33.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.488 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.67 ' HB2' HD21 ' A' ' 58' ' ' LEU . 11.7 mp0 -106.96 151.75 40.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.959 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 36.1 Cg_exo -56.88 133.04 55.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.163 1.908 . . . . 0.0 111.428 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HG3' HD13 ' A' ' 64' ' ' ILE . 41.7 tt0 -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.009 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.58 -44.2 87.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 4.1 m120 -64.06 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.751 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 53' ' ' GLU . 11.9 mt -54.37 128.77 33.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.061 0.457 . . . . 0.0 111.961 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' B' ' 6' ' ' THR . 62.9 t0 -107.54 44.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.777 ' HB2' HD13 ' A' ' 63' ' ' LEU . 26.2 p -149.43 61.62 5.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.838 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.97 -29.16 26.39 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.597 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 36.6 t70 -57.06 -45.89 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.557 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.777 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -67.16 -46.78 72.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.712 0.291 . . . . 0.0 111.228 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.614 ' O ' HD13 ' A' ' 68' ' ' LEU . 69.4 mt -55.12 -39.99 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.991 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.97 79.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 69.5 mm-40 -60.55 -42.23 96.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.264 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.603 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 37.8 t80 -56.4 -53.66 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 64' ' ' ILE . 4.5 mp -67.44 -37.64 83.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.216 0.531 . . . . 0.0 109.976 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -55.36 -37.43 67.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.661 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.3 m -66.22 -46.4 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.045 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.35 -178.906 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.523 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.025 0.44 . . . . 0.0 111.928 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 25.0 p -158.13 152.05 23.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.395 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.856 ' HB3' ' HH2' ' A' ' 42' ' ' TRP . . . -147.28 131.6 17.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 52.5 mtm-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.747 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 121.051 0.453 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB3' ' CB ' ' B' ' 6' ' ' THR . 50.3 mt-10 -74.82 66.34 1.5 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.285 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -62.7 139.28 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -58.33 143.67 12.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.566 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.426 HG11 HD22 ' A' ' 40' ' ' LEU . 60.0 t -135.74 125.31 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.254 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -78.74 -47.61 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.866 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.662 ' HA ' HD13 ' A' ' 63' ' ' LEU . 52.2 tptt -175.47 138.38 0.4 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.369 0.604 . . . . 0.0 111.744 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.767 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.3 t -59.83 131.46 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.6 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.804 HD12 ' HG ' ' A' ' 39' ' ' LEU . 91.8 mt -88.83 -37.84 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.505 ' HB3' ' CH2' ' A' ' 52' ' ' TRP . 29.7 t0 -175.76 -157.89 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.646 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.49 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 37.8 ptt180 -169.14 144.73 3.27 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.6 ptt180 -155.02 129.72 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 35' ' ' LYS . 85.8 t -73.62 135.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.479 HG22 ' OE2' ' A' ' 37' ' ' GLU . 43.5 t -88.84 -42.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' H ' ' H ' ' A' ' 34' ' ' GLY . 21.6 ptmt -170.62 -15.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.012 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' A' ' 33' ' ' LYS . . . -166.36 -36.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -88.49 -159.96 0.6 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.535 HG23 ' OE2' ' A' ' 55' ' ' GLU . 1.8 t -150.12 109.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.66 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.1 pt-20 -88.82 126.06 35.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 8.5 m-85 -106.47 129.99 54.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.439 . . . . 0.0 111.778 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.804 ' HG ' HD12 ' A' ' 27' ' ' LEU . 26.1 tp -72.15 145.76 47.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 26' ' ' VAL . 82.2 mt -144.07 132.65 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.226 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 17.3 tppt? -83.06 66.55 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.097 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 42.2 m95 -47.54 132.92 13.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.44 140.72 58.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.38 -38.15 2.05 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.85 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.9 m-85 -72.0 132.76 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.216 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB3' ' OD1' ' A' ' 49' ' ' ASP . 47.3 t -65.98 162.9 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.781 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -50.95 -42.35 59.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.39 -36.55 84.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.512 ' OD1' ' HB3' ' A' ' 46' ' ' SER . 1.3 m-20 -59.48 -29.31 67.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.793 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.592 ' ND2' ' HA ' ' A' ' 41' ' ' LYS . 26.5 m120 -47.52 145.77 2.43 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.91 0.386 . . . . 0.0 111.197 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 t -154.03 146.77 24.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.644 ' NE1' HD13 ' A' ' 39' ' ' LEU . 5.2 m95 -88.77 144.9 25.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.229 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.873 ' HG2' HD21 ' A' ' 58' ' ' LEU . 4.3 pm0 -151.27 151.61 29.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.297 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.454 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 6.7 Cg_endo -48.09 135.47 24.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.062 2.508 . . . . 0.0 112.545 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.535 ' OE2' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -59.37 -33.61 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.447 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.78 -51.73 9.14 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.365 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.644 ' HB3' ' HB2' ' B' ' 8' ' ' ARG . 34.5 m120 -67.87 -38.46 83.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.873 HD21 ' HG2' ' A' ' 53' ' ' GLU . 12.1 mt -58.73 126.66 28.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.875 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.95 46.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.597 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.544 ' O ' HG13 ' A' ' 64' ' ' ILE . 26.7 p -122.8 56.78 8.95 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.794 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.69 -36.45 91.9 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.144 1.896 . . . . 0.0 111.812 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.29 -48.0 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.391 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 25' ' ' LYS . 21.4 mt -66.7 -41.95 87.21 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.873 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 60' ' ' CYS . 82.1 mt -55.53 -41.73 65.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 110.066 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.569 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -62.83 -46.09 89.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.226 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 95.3 mt-10 -60.66 -37.59 82.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.54 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -62.27 -48.97 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.303 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 60.4 mt -64.46 -34.61 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.776 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 36.7 mt-30 -51.36 -35.37 38.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.286 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.2 t -55.73 -52.54 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.642 179.802 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.561 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 4.0 tp-100 . . . . . 0 N--CA 1.457 -0.096 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.46 ' CB ' ' HB3' ' A' ' 20' ' ' GLU . 69.2 p -132.68 154.55 50.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -162.06 132.31 4.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.69 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.644 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.332 -0.176 0 CA-C-O 120.713 0.292 . . . . 0.0 110.947 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.826 0.346 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 94.2 mt-10 -79.7 136.34 36.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -122.82 136.96 55.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.565 ' HB ' ' HD2' ' A' ' 43' ' ' LYS . 38.3 t -55.23 140.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.764 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' H ' ' B' ' 7' ' ' ALA . 58.9 t -139.88 129.09 28.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.487 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 89.1 tt0 -82.95 -58.81 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.587 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.584 ' HE2' ' OE1' ' A' ' 66' ' ' GLU . 5.0 mmmp? -159.39 139.55 11.97 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.264 0.555 . . . . 0.0 111.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.753 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.2 t -60.43 128.67 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.917 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 41' ' ' LYS . 86.2 mt -84.64 -39.11 19.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.025 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 45.4 m-20 -161.3 -153.06 0.28 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.361 0.6 . . . . 0.0 112.54 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 68.6 ttt180 -168.44 134.58 1.87 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.018 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 8.9 ptp180 -154.77 142.23 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 111.859 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 36' ' ' VAL . 13.3 t -114.12 137.81 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.974 177.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.5 p -161.94 132.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.167 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 32' ' ' VAL . 24.4 ttmm 71.64 20.77 4.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.321 0.582 . . . . 0.0 109.463 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.26 -19.43 13.45 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.026 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -87.12 155.34 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.068 0.461 . . . . 0.0 110.98 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 22.0 t -108.14 141.24 23.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.049 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -148.61 132.61 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.04 0.448 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 64' ' ' ILE . 15.3 m-85 -111.75 135.47 52.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.709 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD13 ' NE1' ' A' ' 52' ' ' TRP . 29.6 tp -74.52 147.54 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.753 HD23 ' HA ' ' A' ' 26' ' ' VAL . 90.7 mt -142.7 135.47 28.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.851 ' HB2' HD21 ' A' ' 27' ' ' LEU . 23.4 tptm -84.3 69.19 10.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.225 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.697 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 27.2 m95 -51.35 137.96 22.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.261 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -59.22 135.14 57.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.364 -179.412 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.76 -34.07 1.42 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.712 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.697 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.3 m-85 -72.35 128.49 35.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 111.369 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -78.52 -166.02 0.8 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.63 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 1.5 m-20 -61.33 -50.32 73.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.27 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.89 -42.14 99.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.477 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 1.3 m-20 -60.43 -33.77 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.793 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.63 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 82.0 m-20 -51.24 145.29 8.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.958 0.409 . . . . 0.0 111.31 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.6 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 7.8 t -145.52 131.36 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.763 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.672 ' NE1' HD13 ' A' ' 39' ' ' LEU . 9.4 m95 -72.52 126.47 29.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' HG2' ' HZ2' ' A' ' 42' ' ' TRP . 67.3 mm-40 -106.16 143.25 26.55 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.31 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.615 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 35.8 Cg_exo -58.42 142.92 98.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.328 2.019 . . . . 0.0 111.859 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -49.24 -38.21 25.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.622 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -73.95 -44.14 55.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -59.54 -60.62 3.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -57.14 144.75 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.042 0.449 . . . . 0.0 111.81 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.719 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 39.0 t70 -114.49 53.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.529 ' O ' HG13 ' A' ' 64' ' ' ILE . 62.7 m -128.11 58.24 32.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 31.9 Cg_exo -58.34 -42.62 54.05 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.393 2.062 . . . . 0.0 112.39 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.642 ' H ' HE22 ' B' ' 5' ' ' GLN . 1.3 m-20 -60.09 -43.6 95.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.405 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.436 ' HG ' ' OE1' ' B' ' 5' ' ' GLN . 48.0 mt -68.4 -40.31 81.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 58' ' ' LEU . 92.1 mt -57.56 -46.92 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.57 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.97 -42.66 84.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.276 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.584 ' OE1' ' HE2' ' A' ' 25' ' ' LYS . 39.8 tt0 -60.41 -36.41 78.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.2 t80 -64.63 -49.45 71.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.053 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 68.2 mt -61.51 -33.74 74.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.463 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 87.1 mt-30 -52.7 -39.26 61.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.3 m -64.84 -36.01 82.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.619 -179.846 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.642 HE22 ' H ' ' A' ' 62' ' ' ASP . 81.4 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.695 0.283 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.629 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 67.2 p -104.72 124.23 49.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.719 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -97.28 135.71 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.903 0.382 . . . . 0.0 110.738 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.604 -179.442 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.2 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.701 0.286 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -76.62 130.22 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.479 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 4.7 m-85 -116.18 140.55 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.803 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.0 t -57.43 135.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.32 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.729 HG11 HD12 ' A' ' 40' ' ' LEU . 65.6 t -118.33 133.48 65.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 38.3 tt0 -77.2 -53.78 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HA ' HD13 ' A' ' 63' ' ' LEU . 38.9 ttpt -178.29 135.89 0.16 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.232 0.539 . . . . 0.0 111.214 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.12 132.61 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.106 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.781 HD13 ' HG ' ' A' ' 39' ' ' LEU . 4.9 mp -91.79 -37.42 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.93 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.463 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.7 t70 179.56 159.84 0.74 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 8.0 ptm180 -96.89 162.46 13.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 74.1 ttt180 -153.68 162.06 41.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.798 0.333 . . . . 0.0 111.591 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 35' ' ' LYS . 73.4 t -147.56 139.03 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.404 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.684 HG23 ' HG2' ' A' ' 33' ' ' LYS . 27.3 m -105.51 -42.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.684 ' HG2' HG23 ' A' ' 32' ' ' VAL . 24.2 pttm -167.9 48.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.452 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.72 -33.87 5.28 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.71 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 31' ' ' VAL . 56.2 mtpt -70.86 -155.78 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.296 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 11.0 p -171.78 130.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.58 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' A' ' 30' ' ' ARG . 13.9 pt-20 -130.32 126.42 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.192 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 41.9 m-85 -100.05 148.65 24.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.663 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.781 ' HG ' HD13 ' A' ' 27' ' ' LEU . 8.9 tp -90.62 140.77 29.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.781 ' H ' HD12 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -131.92 136.09 47.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.37 -179.417 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 2.9 tmtp? -85.51 70.63 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.688 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 40.7 m95 -49.53 136.2 17.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.658 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -69.18 150.84 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.45 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.43 -40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.987 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.645 ' HD2' ' HB3' ' A' ' 49' ' ' ASP . 17.5 m-85 -77.09 -140.1 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.41 -0.116 . . . . 0.0 110.979 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 80.6 p -165.16 -166.02 0.96 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.621 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.1 m-20 -65.67 -46.91 77.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.674 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.1 pt-20 -68.51 -36.84 79.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.278 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.645 ' HB3' ' HD2' ' A' ' 45' ' ' PHE . 1.4 m-20 -71.45 -38.69 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.688 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 20.4 p30 -51.15 147.96 4.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 111.876 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.571 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 8.4 t -138.2 152.97 49.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.469 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.533 ' CZ3' ' HB2' ' A' ' 30' ' ' ARG . 6.5 m95 -86.75 128.71 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.433 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' B' ' 8' ' ' ARG . 15.2 mp0 -110.54 142.47 26.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.6 Cg_exo -61.58 147.09 96.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.492 2.128 . . . . 0.0 111.487 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -48.9 -36.47 17.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.218 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.26 -43.5 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.552 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -62.7 -54.35 40.57 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.452 ' C ' HD12 ' A' ' 58' ' ' LEU . 3.3 pp -62.65 -167.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.908 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -172.07 56.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.226 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 26.0 p -135.73 58.37 23.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.134 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 51.4 Cg_exo -54.3 -38.62 88.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.598 2.198 . . . . 0.0 112.449 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 1.5 m-20 -58.29 -46.61 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.03 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HG ' ' HG3' ' B' ' 5' ' ' GLN . 25.9 mt -67.23 -41.53 85.53 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.903 0.382 . . . . 0.0 110.153 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 38' ' ' TYR . 81.9 mt -56.66 -40.54 70.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.169 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -67.94 -44.09 77.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.7 mt-10 -57.89 -35.55 71.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.459 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 28' ' ' ASP . 31.7 t80 -60.85 -49.93 75.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.155 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.77 -39.94 94.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 85.8 mt-30 -54.99 -39.37 68.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.401 . . . . 0.0 110.713 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.2 m -58.37 -44.62 88.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.86 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.576 -179.229 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.533 ' HG3' ' HG ' ' A' ' 63' ' ' LEU . 1.3 mm-40 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.151 0.5 . . . . 0.0 112.234 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.522 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 42.3 p -153.19 119.61 5.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.892 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.482 ' H ' HG23 ' A' ' 23' ' ' VAL . . . -101.37 127.54 47.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.886 0.374 . . . . 0.0 110.67 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.618 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 41.1 mtt85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.121 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 96.1 mt-10 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 41.7 mt-10 -77.95 134.59 37.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.508 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 10.2 m-85 -127.05 136.94 52.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.836 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.511 ' HA ' HG22 ' B' ' 6' ' ' THR . 61.9 t -57.77 138.37 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.9 HG11 HD23 ' A' ' 40' ' ' LEU . 25.5 t -133.08 135.72 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.59 -54.91 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.002 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.796 ' HA ' HD22 ' A' ' 63' ' ' LEU . 38.1 ttpt -177.24 142.78 0.36 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.143 0.496 . . . . 0.0 112.171 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -64.17 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.55 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.2 mm? -94.36 -43.12 8.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.2 m-20 -157.59 -148.73 0.21 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -167.99 131.54 1.63 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.905 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.469 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 41.2 ptt180 -155.98 139.74 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 35' ' ' LYS . 58.0 t -102.51 128.51 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' HG2' ' A' ' 33' ' ' LYS . 35.8 m -93.64 -40.64 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 111.698 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.741 ' HG2' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -171.52 55.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.739 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.95 26.46 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' O ' HG13 ' A' ' 31' ' ' VAL . 30.0 mmmt -67.11 155.14 39.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.662 HG12 ' HE1' ' A' ' 38' ' ' TYR . 14.8 t -128.1 61.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 24.5 pt-20 -87.78 129.44 35.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.232 0.539 . . . . 0.0 112.027 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.662 ' HE1' HG12 ' A' ' 36' ' ' VAL . 6.5 m-85 -105.04 151.93 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 14.4 tp -85.05 139.87 31.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.9 HD23 HG11 ' A' ' 23' ' ' VAL . 5.3 mp -150.88 134.57 16.47 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -81.48 124.86 29.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.222 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.611 ' HE1' ' H ' ' A' ' 51' ' ' THR . 18.1 m95 -99.57 136.15 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.555 . . . . 0.0 112.395 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.56 151.02 48.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.461 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 -52.4 4.45 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.666 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.01 -121.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.24 . . . . 0.0 110.76 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.2 p -156.91 149.55 23.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.707 0.289 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.605 ' HA ' ' HG2' ' A' ' 41' ' ' LYS . 19.1 m-20 -47.87 -48.13 31.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.59 -39.73 74.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.504 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.83 36.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.488 ' CG ' HD11 ' A' ' 39' ' ' LEU . 23.3 p30 -84.1 141.14 31.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.669 0.271 . . . . 0.0 110.607 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.611 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.4 t -132.06 132.91 43.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.342 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.537 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 8.8 m95 -72.73 124.77 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.596 ' HB2' HD21 ' A' ' 58' ' ' LEU . 4.1 mm-40 -112.08 144.07 30.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.43 ' HG2' ' CG ' ' A' ' 57' ' ' ASN . 9.4 Cg_endo -53.05 137.66 62.39 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.561 2.174 . . . . 0.0 112.015 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 15.7 tp10 -55.13 -40.08 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -55.19 -42.79 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.43 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 4.5 m120 -69.11 -39.26 79.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.494 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.648 HD22 ' HB1' ' B' ' 7' ' ' ALA . 12.5 mt -53.17 135.49 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.514 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.664 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 34.1 t70 -130.48 47.29 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.8 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' B' ' 7' ' ' ALA . 21.9 p -149.08 64.28 7.34 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.061 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HA ' HD12 ' A' ' 64' ' ' ILE . 75.2 Cg_exo -49.66 -23.42 8.09 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.61 2.207 . . . . 0.0 111.979 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.6 m-20 -55.81 -46.35 78.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.058 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 25' ' ' LYS . 40.1 mt -64.52 -44.3 91.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.961 0.41 . . . . 0.0 110.084 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.573 ' O ' HD13 ' A' ' 68' ' ' LEU . 71.6 mt -54.79 -43.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.28 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.97 -42.19 90.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.757 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 55.4 mt-10 -57.42 -38.61 74.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.709 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 28' ' ' ASP . 29.7 t80 -62.49 -58.9 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.656 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 64' ' ' ILE . 6.4 mp -63.08 -19.66 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 32.3 mt-30 -48.95 -38.77 23.98 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.164 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -72.46 -37.89 68.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.005 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.224 179.798 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 17.0 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.692 0.282 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.555 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 69.2 p -153.14 126.33 8.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.348 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.664 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -109.61 125.3 52.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.427 -179.296 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 41.2 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.758 0.313 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.517 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 96.7 mt-10 -77.43 131.0 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 4.0 m-85 -116.48 134.03 55.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' B' ' 6' ' ' THR . 47.5 t -61.89 135.24 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.0 HG11 HD23 ' A' ' 40' ' ' LEU . 49.0 t -121.56 132.08 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.82 -51.45 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.354 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.82 ' HA ' HD23 ' A' ' 63' ' ' LEU . 27.2 tptp -178.83 137.62 0.15 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.984 0.421 . . . . 0.0 111.702 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -58.87 143.49 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.141 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.706 HD23 ' HG ' ' A' ' 39' ' ' LEU . 2.6 mm? -107.52 -40.12 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.489 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.3 m-20 -156.56 -150.78 0.3 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HG2' HH11 ' A' ' 29' ' ' ARG . 44.5 ttt-85 -165.22 137.12 4.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.352 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -155.87 138.88 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.94 138.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.206 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.71 HG23 ' HG2' ' A' ' 33' ' ' LYS . 28.1 m -101.34 -41.59 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.976 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.71 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.7 pttp -167.66 56.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.46 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.36 13.86 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -89.93 133.81 34.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.97 0.414 . . . . 0.0 110.617 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 55' ' ' GLU . 8.4 p -95.88 144.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.267 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.05 127.95 13.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.134 0.492 . . . . 0.0 110.582 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.641 ' CE2' HG23 ' A' ' 64' ' ' ILE . 2.5 m-85 -100.22 158.34 15.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.597 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' A' ' 50' ' ' ASN . 14.2 tp -87.57 140.55 29.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.505 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.0 HD23 HG11 ' A' ' 23' ' ' VAL . 6.1 mp -140.62 129.63 23.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 1.1 tmtp? -79.14 119.17 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.49 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.9 m95 -91.75 132.93 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.074 0.464 . . . . 0.0 111.914 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.49 143.39 55.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.18 -48.48 3.59 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.393 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -66.43 140.03 58.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.617 0.246 . . . . 0.0 110.447 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.533 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 50.6 m -52.7 141.36 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.8 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.77 -39.84 62.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.38 -31.23 71.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.35 43.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.828 ' HB3' HD11 ' A' ' 39' ' ' LEU . 82.2 m-20 -65.19 139.74 58.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.276 . . . . 0.0 110.705 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.49 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 82.9 m -137.77 127.64 25.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.981 0.42 . . . . 0.0 111.323 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.496 ' CD1' HD13 ' A' ' 39' ' ' LEU . 16.5 m95 -85.41 141.17 30.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.824 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -131.7 141.04 40.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.331 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.509 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 Cg_endo -57.3 138.69 87.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.578 2.185 . . . . 0.0 111.799 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' HB2' HG13 ' A' ' 36' ' ' VAL . 40.4 tt0 -52.67 -33.71 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.407 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.06 -48.87 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.58 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.411 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 4.9 m120 -64.79 -56.47 13.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.782 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.637 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.7 pp -55.84 149.41 14.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.56 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.73 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 59.8 t0 -124.38 58.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.849 ' HB2' HD13 ' A' ' 63' ' ' LEU . 27.0 p -141.98 60.33 10.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD2' ' OE1' ' B' ' 5' ' ' GLN . 19.4 Cg_endo -59.64 -37.56 87.17 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.576 2.184 . . . . 0.0 112.451 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.92 -44.62 91.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.325 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.849 HD13 ' HB2' ' A' ' 60' ' ' CYS . 5.6 mp -67.7 -37.83 82.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.128 0.489 . . . . 0.0 109.809 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.641 HG23 ' CE2' ' A' ' 38' ' ' TYR . 85.0 mt -58.1 -49.64 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.655 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -61.06 -41.63 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.2 -32.05 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.522 ' HB3' ' O ' ' A' ' 64' ' ' ILE . 30.5 t80 -61.47 -56.4 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -64.89 -40.22 94.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.791 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 35.5 mt-30 -59.62 -42.42 92.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.2 m -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.117 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.318 -179.622 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.453 ' OE1' ' HA ' ' A' ' 60' ' ' CYS . 92.0 mm-40 . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.941 0.401 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.553 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 39.7 p -152.98 116.34 4.67 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.73 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -84.63 135.28 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.468 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.712 179.806 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HG3' ' HE1' ' A' ' 21' ' ' TYR . 11.5 pt-20 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.919 0.39 . . . . 0.0 111.428 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 96.3 mt-10 -86.76 129.98 34.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m-85 -98.5 140.25 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' B' ' 6' ' ' THR . 59.5 t -57.71 -47.54 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.505 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 21' ' ' TYR . 17.5 t 65.23 128.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.22 -52.19 17.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HE2' ' HB3' ' A' ' 66' ' ' GLU . 61.6 tttm 178.71 139.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.277 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.774 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -60.76 129.95 24.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.935 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 98.0 mt -80.65 -56.2 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.797 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.94 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.7 m-20 -137.81 -166.08 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -160.15 140.26 11.55 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.679 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.7 ptm180 -155.79 154.04 30.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.969 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.3 t -121.28 136.15 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.91 0.386 . . . . 0.0 111.192 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.99 127.75 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.371 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt 42.08 38.06 1.0 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.317 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.96 37.63 49.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.594 ' HZ2' ' HB3' ' A' ' 35' ' ' LYS . 5.1 mmmp? -122.06 140.43 52.52 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.735 0.302 . . . . 0.0 110.585 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 48.0 t -92.45 134.92 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.807 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.7 pt-20 -154.3 135.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.215 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 23.5 m-85 -127.56 135.23 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.94 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 14.5 tp -75.34 137.83 41.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.917 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.774 HD23 ' HA ' ' A' ' 26' ' ' VAL . 79.5 mt -137.1 132.14 33.67 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' HD21 ' A' ' 27' ' ' LEU . 27.8 tptp -86.24 76.43 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.306 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 30.6 m95 -55.3 131.35 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.576 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.26 139.08 58.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.431 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.74 -40.1 2.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.161 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 4.6 m-85 -72.54 137.21 46.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.998 0.427 . . . . 0.0 111.498 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.0 m -62.51 157.23 20.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p30 -53.73 -37.59 63.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -61.61 -36.65 81.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.019 0.438 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -61.4 -28.05 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.837 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 86.7 m-20 -44.75 142.49 1.71 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 111.346 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.412 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 7.5 t -147.52 128.82 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.987 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.489 ' CE3' ' HG2' ' A' ' 30' ' ' ARG . 11.5 m95 -70.46 140.38 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.144 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.873 ' HG3' HD21 ' A' ' 58' ' ' LEU . 6.7 pt-20 -148.5 145.48 20.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.767 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.504 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 9.3 Cg_endo -51.46 136.49 48.26 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.143 2.562 . . . . 0.0 113.388 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.54 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 43.5 tp10 -60.3 -30.89 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.095 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -49.28 -51.27 34.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -69.94 -37.61 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.873 HD21 ' HG3' ' A' ' 53' ' ' GLU . 7.4 mt -56.86 125.32 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.14 53.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.295 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.572 ' HB2' ' HB3' ' B' ' 5' ' ' GLN . 26.0 p -151.94 57.24 2.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.3 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.33 -31.55 47.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.695 2.263 . . . . 0.0 112.152 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.78 -50.49 72.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.663 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 54.7 mt -59.37 -45.18 92.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.561 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.9 mp -52.45 -41.17 35.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -61.62 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.354 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -58.26 -41.7 84.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 179.522 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.471 ' HB2' HG22 ' A' ' 26' ' ' VAL . 15.9 t80 -68.42 -44.75 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.641 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 76.1 mt -65.66 -41.87 92.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.81 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 89.4 mt-30 -55.22 -36.06 65.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.113 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -53.34 -47.53 69.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 179.703 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.663 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 15.4 mp0 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.506 0.193 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 20' ' ' GLU . 55.0 p -152.07 147.46 26.51 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 111.677 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.54 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -148.35 130.01 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.412 HH11 ' HG3' ' B' ' 8' ' ' ARG . 51.2 mtm-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.718 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 4.8 mm-40 . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.908 0.385 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 46.7 mt-10 -77.82 136.27 38.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.988 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.443 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 9.0 m-85 -128.75 139.96 51.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -54.01 140.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.624 ' CG1' HD22 ' A' ' 40' ' ' LEU . 82.3 t -129.93 127.61 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.435 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -81.97 -54.13 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.716 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.715 ' HA ' HD12 ' A' ' 63' ' ' LEU . 63.5 tttp 177.92 140.14 0.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.7 ' HA ' HD23 ' A' ' 40' ' ' LEU . 17.7 m -63.22 133.65 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.911 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 3.0 mm? -87.12 -17.04 33.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.577 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 31.2 t0 -176.36 -147.67 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.072 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 43.4 ttp85 -168.9 136.17 1.89 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.192 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.4 ptt180 -155.45 141.89 18.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.972 0.415 . . . . 0.0 111.95 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.29 137.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.151 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.762 HG23 ' HG2' ' A' ' 33' ' ' LYS . 34.8 m -104.58 -38.8 5.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.405 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.762 ' HG2' HG23 ' A' ' 32' ' ' VAL . 22.1 pttp -167.85 45.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.76 -35.63 4.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -82.2 142.45 32.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.001 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.726 ' HB ' ' HG3' ' A' ' 55' ' ' GLU . 2.4 t -110.58 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.93 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.7 127.52 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.165 0.507 . . . . 0.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.502 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 21.7 m-85 -104.75 126.15 51.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.105 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 50' ' ' ASN . 14.7 tp -59.79 143.45 51.04 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 26' ' ' VAL . 74.8 mt -145.48 133.04 20.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 6.9 tmtm? -86.42 96.59 10.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.8 178.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.472 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 40.4 m95 -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 112.247 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -66.35 142.05 57.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.92 -49.69 3.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.609 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.11 141.5 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.522 0.201 . . . . 0.0 110.503 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.515 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.8 m -50.07 139.5 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.747 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -52.17 -46.46 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.962 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.5 pt-20 -57.39 -31.59 65.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.268 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.515 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -76.33 39.32 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.832 ' HB3' HD11 ' A' ' 39' ' ' LEU . 67.4 m-20 -68.23 142.73 55.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.472 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 90.9 m -136.35 128.2 29.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.431 . . . . 0.0 111.821 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.654 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.9 m95 -78.7 149.17 32.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.16 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.499 ' O ' HD23 ' A' ' 58' ' ' LEU . 65.1 mm-40 -140.39 128.92 12.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.673 0.273 . . . . 0.0 111.364 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.52 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 Cg_exo -56.01 143.56 82.48 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.577 2.185 . . . . 0.0 111.778 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.726 ' HG3' ' HB ' ' A' ' 36' ' ' VAL . 54.9 mt-10 -50.56 -37.04 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.887 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.94 -49.47 70.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.662 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -66.26 -53.97 30.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 58' ' ' LEU . 3.0 pp -61.14 166.14 3.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.076 0.465 . . . . 0.0 111.46 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.786 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 38.8 t70 -137.4 50.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.662 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.761 ' HB2' HD23 ' A' ' 63' ' ' LEU . 24.7 p -128.32 54.88 14.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.24 -45.11 43.43 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.591 2.194 . . . . 0.0 112.562 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.72 -33.81 66.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.002 0.429 . . . . 0.0 110.488 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.761 HD23 ' HB2' ' A' ' 60' ' ' CYS . 2.6 mm? -67.0 -44.37 80.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.808 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 64' ' ' ILE . 2.0 mp -60.84 -47.22 94.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 110.676 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -59.67 -46.43 89.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -59.16 -41.58 88.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.571 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 29.2 t80 -55.45 -49.29 72.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.161 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.59 -37.79 85.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.474 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 98.2 mm-40 -54.23 -40.61 67.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.2 t -55.04 -36.37 65.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.21 -179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' B' ' 5' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.977 0.418 . . . . 0.0 111.612 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 65.0 p -148.95 110.24 4.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.376 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.786 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -69.46 -155.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.742 HH12 ' HB2' ' A' ' 59' ' ' ASP . 63.7 mtt85 . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 121.12 0.486 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.887 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 0.9 OUTLIER -79.87 137.02 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.196 0.522 . . . . 0.0 112.014 -179.534 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -122.92 133.36 54.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.548 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 57.8 t -64.0 134.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.066 HG11 HD23 ' A' ' 40' ' ' LEU . 41.6 t -124.38 130.9 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.93 -50.12 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -179.69 142.32 0.17 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 64' ' ' ILE . 17.9 m -64.78 133.05 30.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.534 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 89.4 mt -78.36 -32.54 49.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.437 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.8 t70 -170.6 -153.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.878 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.509 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.4 ptt180 -168.61 142.27 3.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.372 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.492 HH12 HG12 ' A' ' 32' ' ' VAL . 39.1 ptt85 -155.65 144.69 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 111.217 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.1 t -92.72 143.04 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.972 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.669 HG23 ' HG2' ' A' ' 33' ' ' LYS . 31.6 m -101.61 -40.69 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.725 0.298 . . . . 0.0 111.701 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.669 ' HG2' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -169.7 53.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.155 0.503 . . . . 0.0 110.374 -179.632 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 -25.38 28.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.885 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.501 ' HB3' ' H ' ' A' ' 36' ' ' VAL . 94.2 mttt -74.99 -155.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 111.04 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 38.9 t -145.57 145.71 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.01 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.862 ' HG2' ' HB3' ' A' ' 52' ' ' TRP . 27.7 tt0 -151.33 127.0 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.249 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.537 ' HB2' HD11 ' A' ' 58' ' ' LEU . 12.5 m-85 -119.58 144.09 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 111.891 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 40' ' ' LEU . 14.1 tp -88.07 145.55 25.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.36 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.066 HD23 HG11 ' A' ' 23' ' ' VAL . 5.3 mp -140.92 135.47 31.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.034 0.445 . . . . 0.0 111.606 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -81.29 67.03 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.043 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.689 ' HE1' ' H ' ' A' ' 51' ' ' THR . 19.7 m95 -47.88 133.9 13.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.79 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HD3' ' HB ' ' A' ' 22' ' ' VAL . 22.2 pttp -58.08 140.26 52.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.299 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.57 -36.33 1.6 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.608 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.524 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 1.3 m-85 -74.18 128.71 36.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 m -69.76 -166.45 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.279 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.6 m-20 -65.28 -51.99 57.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.36 -38.47 87.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.47 -34.85 64.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.451 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.632 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 80.4 m-20 -51.08 142.13 12.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 111.368 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.689 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.3 t -137.58 131.39 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.763 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.862 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 5.9 m95 -72.67 142.63 48.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.387 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.676 ' HB2' HD21 ' A' ' 58' ' ' LEU . 52.6 mm-40 -135.32 139.78 32.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.54 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 8.5 Cg_endo -50.2 131.57 31.48 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.47 2.113 . . . . 0.0 111.81 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 17.6 tp10 -50.65 -28.61 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.492 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.09 -50.95 67.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' HG2' ' A' ' 54' ' ' PRO . 33.9 m120 -71.35 -36.69 71.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 111.324 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 53' ' ' GLU . 16.5 mt -52.08 139.13 23.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.264 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.689 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -130.72 54.5 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' B' ' 5' ' ' GLN . 64.1 m -142.43 57.89 6.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.892 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.6 Cg_exo -52.71 -38.58 77.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.516 2.144 . . . . 0.0 111.978 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.531 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 64.7 t0 -60.87 -45.36 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.593 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 53.0 mt -63.67 -39.92 95.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.383 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.601 ' O ' HD23 ' A' ' 68' ' ' LEU . 47.2 mm -55.38 -51.46 56.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -57.26 -39.75 76.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.364 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 97.3 mt-10 -56.79 -41.85 78.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.67 ' CD2' HD22 ' A' ' 68' ' ' LEU . 15.6 t80 -62.97 -52.64 62.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.526 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 67' ' ' PHE . 3.4 mm? -56.31 -33.46 65.59 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 36.3 mt-30 -50.47 -37.1 36.7 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.4 t -58.63 -49.18 78.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 . . . . . 0 C--O 1.233 0.197 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.403 178.222 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.518 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 120.981 0.42 . . . . 0.0 111.809 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.526 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 40.0 p -153.39 115.44 4.33 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.738 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.689 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -71.29 -7.29 46.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.455 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.887 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 88.4 mtm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 39.3 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.666 0.269 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.716 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 92.8 mt-10 -74.2 131.2 41.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.944 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.426 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.7 m-85 -117.66 143.23 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -55.35 135.03 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.84 HG22 ' HZ3' ' A' ' 42' ' ' TRP . 10.6 t -117.9 135.43 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.568 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -86.74 -74.99 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -158.3 135.91 10.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.152 0.501 . . . . 0.0 111.368 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.556 HG23 HD21 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -60.7 134.65 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.803 HD12 ' HG ' ' A' ' 39' ' ' LEU . 89.8 mt -97.03 -40.33 8.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -174.72 -144.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.415 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . 15.7 ptm180 -168.95 147.22 3.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.62 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.563 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 16.4 ptm180 -155.12 138.81 16.1 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.59 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 35' ' ' LYS . 58.3 t -88.19 138.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.9 t -88.1 -50.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.841 0.353 . . . . 0.0 111.521 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -171.08 42.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.955 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.63 -31.19 4.45 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.179 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 31' ' ' VAL . 56.5 mtpt -78.6 -151.57 0.05 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.094 0.473 . . . . 0.0 110.653 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 7.5 p -166.8 136.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -145.1 127.98 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.792 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 29' ' ' ARG . 5.5 m-85 -98.62 143.47 28.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.33 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 50' ' ' ASN . 24.9 tp -82.75 140.08 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.86 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 26' ' ' VAL . 4.7 mp -154.98 135.73 13.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.886 0.374 . . . . 0.0 111.819 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.831 ' HE2' ' HA ' ' A' ' 47' ' ' ASP . 27.7 tptp -77.01 127.62 33.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.616 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.84 ' HZ3' HG22 ' A' ' 23' ' ' VAL . 30.7 m95 -106.41 129.86 54.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.111 0.481 . . . . 0.0 111.507 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -56.7 144.0 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.728 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.66 -47.64 3.69 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.938 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.451 ' HD1' ' H ' ' A' ' 45' ' ' PHE . 1.5 m-85 -67.63 145.82 54.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.803 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.636 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 50.1 m -49.1 151.35 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.831 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 11.8 p-10 -55.64 -55.49 31.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.194 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.609 ' OE2' ' HB3' ' A' ' 46' ' ' SER . 1.2 pm0 -68.12 -11.09 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.629 0.252 . . . . 0.0 111.071 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.636 ' HB2' ' HB2' ' A' ' 46' ' ' SER . 31.8 t70 -75.38 24.8 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.244 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.834 ' HB3' HD11 ' A' ' 39' ' ' LEU . 68.4 m-20 -63.5 139.1 58.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.718 0.294 . . . . 0.0 110.449 179.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.454 HG22 ' OE2' ' A' ' 53' ' ' GLU . 85.2 m -136.24 126.87 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.262 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.578 ' NE1' HD13 ' A' ' 39' ' ' LEU . 9.0 m95 -76.43 131.87 39.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.596 ' HB2' HD21 ' A' ' 58' ' ' LEU . 50.7 mm-40 -111.95 147.01 35.97 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.4 Cg_exo -59.7 136.36 70.12 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.059 1.839 . . . . 0.0 111.214 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -51.33 -42.77 61.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.389 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 15.3 pt-20 -61.6 -43.15 99.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.456 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 2.6 m120 -61.28 -35.49 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' ' 53' ' ' GLU . 20.3 mt -55.49 146.11 21.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.368 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.519 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -139.69 52.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 25.2 p -165.7 60.62 0.67 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.675 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.576 ' HA ' HD12 ' A' ' 64' ' ' ILE . 76.5 Cg_exo -50.55 -26.16 16.09 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.751 2.301 . . . . 0.0 112.587 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.576 ' HB3' ' NE2' ' B' ' 5' ' ' GLN . 8.3 t70 -51.16 -43.5 61.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.075 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.518 HD21 ' OE1' ' B' ' 5' ' ' GLN . 76.7 mt -67.7 -40.77 84.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.897 0.38 . . . . 0.0 110.046 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 61' ' ' PRO . 67.6 mt -55.36 -43.54 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -63.01 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.898 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.536 ' HA ' ' OE1' ' A' ' 69' ' ' GLN . 39.3 tt0 -56.43 -36.62 69.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.321 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.487 ' HB3' ' O ' ' A' ' 64' ' ' ILE . 19.0 t80 -59.68 -56.33 23.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.383 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.5 mp -63.94 -28.74 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.045 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 84.9 mt-30 -48.82 -43.48 38.42 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.219 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.6 m -66.04 -46.05 79.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.929 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.0 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.576 ' NE2' ' HB3' ' A' ' 62' ' ' ASP . 69.7 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.686 ' HA ' HG23 ' A' ' 23' ' ' VAL . 68.3 p -143.86 140.34 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.608 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.579 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -123.23 27.96 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.716 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 72.3 mtt-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.256 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 39.2 tt0 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.705 0.288 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.89 73.87 2.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 7.0 m-85 -60.44 136.29 58.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.354 . . . . 0.0 110.961 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.28 136.52 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.881 HG11 HD23 ' A' ' 40' ' ' LEU . 19.1 t -127.5 129.72 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.16 -53.23 13.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -177.87 136.38 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.8 130.34 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.866 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 86.5 mt -81.99 -49.24 10.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.362 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.87 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 2.1 m-20 -146.05 -158.42 0.9 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HG2' ' HE2' ' A' ' 67' ' ' PHE . 36.6 ptt85 -169.02 134.31 1.58 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.46 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 39.8 ptt180 -157.01 141.88 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.853 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 36' ' ' VAL . 94.0 t -100.92 139.61 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.73 -80.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.323 . . . . 0.0 110.754 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.592 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 5.2 mtpm? -85.37 42.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.763 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.5 -24.16 5.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.399 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -75.25 142.62 43.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.991 0.424 . . . . 0.0 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' A' ' 31' ' ' VAL . 4.8 t -98.89 83.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.48 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.38 127.01 35.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.208 0.527 . . . . 0.0 111.145 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.615 ' HB2' HD11 ' A' ' 58' ' ' LEU . 7.6 m-85 -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.225 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.87 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 14.4 tp -85.05 136.15 33.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.646 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.881 HD23 HG11 ' A' ' 23' ' ' VAL . 4.6 mp -151.07 140.97 21.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.752 0.311 . . . . 0.0 111.484 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -83.18 140.29 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 7.1 m95 -119.52 134.39 55.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.05 0.452 . . . . 0.0 111.134 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -58.52 147.99 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.84 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.95 -49.74 3.78 Favored Glycine 0 C--N 1.331 0.298 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.77 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -71.78 140.32 49.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -51.54 146.79 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.61 -41.43 73.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.983 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -62.93 -21.02 65.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.38 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.63 43.17 0.24 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.777 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.641 ' HB3' HD11 ' A' ' 39' ' ' LEU . 86.1 m-20 -57.37 142.61 43.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.732 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.468 HG22 ' OE1' ' A' ' 53' ' ' GLU . 89.2 m -145.66 116.16 7.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.569 ' CZ2' HD22 ' A' ' 39' ' ' LEU . 8.7 m95 -85.45 117.66 24.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.262 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.629 ' HB2' HD21 ' A' ' 58' ' ' LEU . 3.1 mm-40 -107.55 142.04 24.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.52 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.8 Cg_endo -49.56 133.1 31.55 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 16.5 tp10 -56.84 -33.69 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.901 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.56 -48.29 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.575 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -72.34 -36.0 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.811 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 53' ' ' GLU . 25.5 mt -48.79 140.36 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.616 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -132.83 48.75 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.002 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.847 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 70.1 m -126.44 64.19 54.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.03 -44.53 48.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.461 2.108 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 61.7 m-20 -67.18 -44.45 79.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.573 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.584 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 52.5 mt -62.37 -43.85 97.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.655 0.264 . . . . 0.0 111.009 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.691 ' O ' HD13 ' A' ' 68' ' ' LEU . 87.3 mt -55.13 -47.82 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.231 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -59.55 -35.49 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.119 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 52.7 mt-10 -62.44 -41.13 98.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.376 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 9.8 t80 -71.46 -51.42 23.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.146 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 64' ' ' ILE . 5.5 mp -65.33 -21.4 66.7 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.214 0.531 . . . . 0.0 109.893 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 51.0 tp60 -49.31 -41.99 40.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.746 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.2 m -62.18 -44.97 95.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.612 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' OE1' ' N ' ' A' ' 71' ' ' GLN . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.88 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.847 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 2.9 mm-40 . . . . . 0 N--CA 1.461 0.092 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.7 p 63.32 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.288 0.566 . . . . 0.0 112.036 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -144.66 116.56 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.997 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 42.5 tp10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -78.45 77.98 4.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.434 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.623 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 5.5 m-85 -61.04 141.66 57.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.512 ' HA ' HG22 ' B' ' 6' ' ' THR . 46.6 t -56.12 -43.47 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.757 HG21 ' HB3' ' B' ' 7' ' ' ALA . 21.8 t 67.1 143.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 111.031 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HG2' ' HG2' ' A' ' 25' ' ' LYS . 38.7 tt0 -95.21 -52.59 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.604 ' HA ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -173.43 149.38 1.7 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.524 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HA ' ' HG ' ' A' ' 40' ' ' LEU . 1.2 t -72.1 144.1 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.601 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.678 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.1 mm? -108.72 -39.67 5.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.522 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 36.9 t0 -171.28 -146.31 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.403 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.511 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 32.2 ptt85 -168.79 141.34 2.77 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 2.8 ptm85 -155.58 137.04 14.07 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -95.88 132.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.256 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.757 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -94.07 -30.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.096 0.474 . . . . 0.0 111.222 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.757 ' HG2' HG23 ' A' ' 32' ' ' VAL . 60.0 pttt -159.9 -31.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.74 -22.53 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.917 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.601 ' HG2' HG22 ' A' ' 32' ' ' VAL . 21.8 ptmt -76.59 159.45 30.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.588 HG12 ' HE1' ' A' ' 38' ' ' TYR . 1.9 t -115.94 81.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -87.46 127.54 35.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.315 0.578 . . . . 0.0 111.381 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.588 ' HE1' HG12 ' A' ' 36' ' ' VAL . 8.1 m-85 -106.44 143.71 34.16 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.811 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.907 HD11 ' HB3' ' A' ' 50' ' ' ASN . 19.3 tp -83.19 140.64 32.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.52 ' CD2' HG11 ' A' ' 23' ' ' VAL . 4.9 mp -152.16 133.62 14.56 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.414 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.593 ' NZ ' ' HB2' ' A' ' 41' ' ' LYS . 4.9 ttmp? -74.85 134.02 41.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.536 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 33.8 m95 -107.59 134.39 50.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.478 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -62.55 145.4 54.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.86 -51.24 4.28 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -70.89 139.77 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.67 0.271 . . . . 0.0 110.437 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -52.72 144.44 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -55.03 -34.19 63.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -63.64 -27.78 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.807 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -76.5 43.94 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.599 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.907 ' HB3' HD11 ' A' ' 39' ' ' LEU . 80.0 m-20 -60.72 143.68 53.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.652 0.263 . . . . 0.0 110.584 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -145.78 121.47 10.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.984 0.421 . . . . 0.0 111.565 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.521 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.8 m95 -83.84 154.52 23.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.132 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.71 ' HG3' HD21 ' A' ' 58' ' ' LEU . 16.2 pt-20 -149.05 138.8 12.88 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.444 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.709 ' O ' HD23 ' A' ' 58' ' ' LEU . 17.7 Cg_endo -57.89 126.85 22.98 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.539 2.159 . . . . 0.0 112.107 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 5.0 tm-20 -41.46 -34.15 0.51 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.74 -50.72 43.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.471 ' OD1' ' HG2' ' A' ' 54' ' ' PRO . 34.3 m120 -72.82 -30.75 64.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.727 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.71 HD21 ' HG3' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -44.38 132.12 6.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.71 -179.283 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -122.31 41.83 3.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.846 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.891 ' HB2' HD13 ' A' ' 63' ' ' LEU . 25.7 p -155.7 59.05 2.0 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.549 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.3 -29.46 30.11 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.904 2.403 . . . . 0.0 112.184 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.0 -39.94 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.891 HD13 ' HB2' ' A' ' 60' ' ' CYS . 7.4 mp -70.35 -42.34 71.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.774 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 64' ' ' ILE . 2.1 mp -59.57 -44.05 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.66 -43.95 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.44 -39.58 73.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.846 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.14 -32.73 72.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.908 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 36.6 mt-30 -53.39 -43.04 67.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.255 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.7 m -60.42 -32.9 71.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.759 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.013 179.569 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.507 HE21 ' HA ' ' B' ' 5' ' ' GLN . 1.8 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.551 0.215 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 22' ' ' VAL . 61.0 p -147.36 179.87 7.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 111.536 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.757 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -177.1 122.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.921 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 80.4 mtm180 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.155 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' B' ' 8' ' ' ARG . 84.5 tt0 . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.703 0.287 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.761 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 45.4 mt-10 -76.11 134.04 40.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -112.24 140.27 47.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.46 140.37 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.619 ' CG1' HD22 ' A' ' 40' ' ' LEU . 58.8 t -127.37 132.55 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 111.765 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.77 -50.73 7.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.398 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -179.53 138.78 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.0 HG12 HD21 ' A' ' 40' ' ' LEU . 3.1 m -63.9 133.2 29.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD12 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -86.79 -35.91 18.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CH2' ' A' ' 52' ' ' TRP . 35.0 t70 -166.01 145.17 6.06 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -101.87 135.82 42.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -154.32 132.82 12.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 35' ' ' LYS . 38.7 t -90.69 144.17 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.42 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.87 HG22 ' HG3' ' A' ' 33' ' ' LYS . 2.8 p -149.92 124.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.879 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.87 ' HG3' HG22 ' A' ' 32' ' ' VAL . 43.6 mtmt 62.48 37.01 13.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.094 -178.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.17 -19.08 3.04 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.712 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.515 ' O ' HG13 ' A' ' 31' ' ' VAL . 88.2 mttt -69.08 -150.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.35 0.595 . . . . 0.0 110.958 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.8 p -169.52 133.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.418 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -141.17 139.05 33.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.44 ' CE2' HG23 ' A' ' 64' ' ' ILE . 9.8 m-85 -116.61 129.08 55.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.468 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' ' 50' ' ' ASN . 22.7 tp -62.3 147.38 48.35 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.0 HD21 HG12 ' A' ' 26' ' ' VAL . 95.7 mt -145.25 129.31 17.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -177.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.22 111.95 18.1 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.704 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.438 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 44.6 m95 -90.4 130.29 36.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.323 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.59 142.11 57.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.77 -41.46 2.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.959 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -68.69 136.44 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.678 0.275 . . . . 0.0 110.677 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.53 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.3 m -58.33 146.03 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.2 -40.57 61.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.67 -31.5 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.53 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.16 40.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.696 ' HB3' HD11 ' A' ' 39' ' ' LEU . 81.5 m-20 -67.21 141.86 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.603 0.24 . . . . 0.0 110.431 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -140.86 128.07 20.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 111.408 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.592 ' NE1' HD13 ' A' ' 39' ' ' LEU . 19.9 m95 -92.39 150.49 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.472 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.852 ' HG2' HD11 ' A' ' 58' ' ' LEU . 1.3 pm0 -151.4 146.1 18.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.397 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.884 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 31.0 Cg_endo -61.8 120.56 8.23 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.638 2.225 . . . . 0.0 111.911 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 38.4 tt0 -43.32 -29.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.84 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.884 ' HG2' ' HB2' ' A' ' 54' ' ' PRO . 16.1 pt-20 -46.3 -46.2 17.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.996 0.427 . . . . 0.0 110.202 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -76.14 -37.21 58.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.852 HD11 ' HG2' ' A' ' 53' ' ' GLU . 6.6 mp -54.85 138.11 43.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -130.92 56.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 26.7 p -145.46 56.59 3.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.229 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 49.9 Cg_exo -55.84 -34.77 92.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.519 2.146 . . . . 0.0 112.424 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.656 ' H ' HE22 ' B' ' 5' ' ' GLN . 34.5 t70 -56.89 -50.28 72.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HG ' ' OE1' ' B' ' 5' ' ' GLN . 30.8 mt -66.75 -41.01 88.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.131 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 84.9 mt -54.03 -42.05 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.251 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.09 -42.42 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -55.85 -42.08 75.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -67.33 -47.16 71.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.183 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 78.7 mt -61.56 -25.11 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.916 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 48.4 mm-40 -46.84 -43.17 18.32 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.627 0.251 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 m -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.119 0.485 . . . . 0.0 109.932 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.308 178.96 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.656 HE22 ' H ' ' A' ' 62' ' ' ASP . 79.2 mt-30 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.513 0.197 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.432 HG23 ' O ' ' B' ' 5' ' ' GLN . 18.6 p -158.84 -174.59 4.84 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.197 0.523 . . . . 0.0 111.573 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -174.19 115.54 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.62 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.761 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 19.2 ttm105 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.863 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.932 0.396 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -79.99 123.92 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.8 m-85 -100.3 146.78 26.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.78 -44.85 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 21' ' ' TYR . 21.4 t 66.97 141.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.418 . . . . 0.0 111.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.698 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 14.6 tp10 -85.22 -61.11 1.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.952 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HA ' HD23 ' A' ' 63' ' ' LEU . 27.1 tptp -179.19 139.86 0.15 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 111.709 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -58.61 135.57 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.789 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.781 HD23 ' HG ' ' A' ' 39' ' ' LEU . 2.5 mm? -100.93 -36.45 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 18.1 t70 -172.33 -150.62 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.512 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.553 ' HG2' HH11 ' A' ' 29' ' ' ARG . 20.5 ptt-85 -168.58 142.69 3.19 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.1 ptt180 -155.51 134.33 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.162 0.506 . . . . 0.0 112.195 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 35' ' ' LYS . 46.1 t -79.01 151.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.734 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.78 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -135.1 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.901 0.382 . . . . 0.0 111.249 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.78 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.3 ptmt -163.12 53.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.09 -29.98 4.51 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.46 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.572 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -78.29 -151.82 0.05 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' A' ' 55' ' ' GLU . 7.5 p -167.04 127.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.309 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.544 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -114.3 129.68 56.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.538 ' O ' HD12 ' A' ' 40' ' ' LEU . 8.7 m-85 -102.14 138.77 38.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.479 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.937 HD11 ' HB3' ' A' ' 50' ' ' ASN . 22.1 tp -80.68 137.46 36.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 38' ' ' TYR . 4.5 mp -151.74 129.6 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 111.707 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.698 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 85.5 tttt -72.16 138.16 47.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.498 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.542 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 62.9 m95 -111.31 133.17 53.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.118 0.485 . . . . 0.0 111.53 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.04 143.42 55.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.24 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.4 -46.24 2.99 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.207 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.74 139.07 53.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.638 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 48' ' ' GLU . 46.7 t -52.01 146.22 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.17 -43.0 63.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 24.6 pt-20 -61.5 -29.24 69.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.033 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -74.07 36.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.937 ' HB3' HD11 ' A' ' 39' ' ' LEU . 68.4 m-20 -69.48 141.89 53.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.287 . . . . 0.0 110.39 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -135.49 126.86 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.59 ' NE1' HD13 ' A' ' 39' ' ' LEU . 13.3 m95 -81.55 124.72 29.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 59.7 mm-40 -89.58 143.23 30.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.052 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 57' ' ' ASN . 6.4 Cg_exo -73.0 45.3 0.9 Allowed 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.152 2.568 . . . . 0.0 113.407 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.2 tt0 58.29 -73.73 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 54' ' ' PRO . 55.0 mt-10 -49.25 -38.68 27.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' O ' ' HB3' ' B' ' 8' ' ' ARG . 3.5 m120 -58.47 -58.42 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 3.3 pp -59.31 179.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 111.75 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.814 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 35.0 t70 -156.98 44.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.253 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.871 ' HB3' HD13 ' A' ' 63' ' ' LEU . 75.2 m -120.72 69.88 17.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.949 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.81 -38.16 96.41 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.906 2.404 . . . . 0.0 112.385 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -62.6 -40.58 97.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 60' ' ' CYS . 7.8 mp -68.47 -45.38 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.925 0.393 . . . . 0.0 110.659 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.425 HG23 ' CE2' ' A' ' 38' ' ' TYR . 79.4 mt -59.47 -42.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -70.18 -41.02 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.152 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.27 -38.03 79.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.048 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 16.6 t80 -60.8 -48.99 79.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.363 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.94 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.39 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 72.3 mt-30 -58.76 -39.54 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.8 t -57.22 -51.7 68.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.146 -179.548 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.686 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 52.4 p -154.38 125.29 7.18 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.594 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.814 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -80.08 -131.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.527 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 39.8 ttm180 . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.745 0.307 . . . . 0.0 110.74 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.579 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 89.1 tt0 . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 8.7 mp0 -68.27 76.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.466 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.6 m-85 -61.23 135.3 57.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.192 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.659 ' HA ' HG22 ' B' ' 6' ' ' THR . 21.4 t -67.45 137.47 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.33 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.616 HG21 HD22 ' A' ' 40' ' ' LEU . 6.8 p -129.07 134.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.604 ' HG2' ' HG3' ' A' ' 25' ' ' LYS . 44.1 tt0 -67.25 -69.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.657 ' HA ' HD22 ' A' ' 63' ' ' LEU . 67.3 mttm -154.05 143.7 21.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.167 0.508 . . . . 0.0 111.949 -178.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.738 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -60.01 131.85 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.564 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.798 HD12 ' HG ' ' A' ' 39' ' ' LEU . 94.6 mt -92.94 -43.02 9.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 41.4 m-20 -164.46 -153.55 0.21 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 112.014 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 40.1 ptt180 -168.93 139.06 2.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.635 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.89 129.18 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.078 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 36' ' ' VAL . 41.3 t -89.12 140.8 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 110.983 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.775 HG22 ' HG3' ' A' ' 33' ' ' LYS . 7.4 p -153.99 131.96 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.882 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.775 ' HG3' HG22 ' A' ' 32' ' ' VAL . 57.2 mttp 75.62 -37.31 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.625 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 154.23 -21.65 0.66 Allowed Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.698 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.897 ' H ' ' HD2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -100.94 139.37 36.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.042 0.448 . . . . 0.0 111.758 -179.071 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.66 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 2.8 t -80.8 141.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.401 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 11.6 pt-20 -139.08 127.18 22.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 110.83 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 29' ' ' ARG . 6.5 m-85 -105.34 129.5 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.63 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.798 ' HG ' HD12 ' A' ' 27' ' ' LEU . 27.0 tp -64.88 143.68 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.738 HD23 ' HA ' ' A' ' 26' ' ' VAL . 74.3 mt -142.77 131.57 22.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.473 . . . . 0.0 112.184 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 28.4 tptp -83.05 72.35 10.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.527 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 48.8 m95 -58.16 138.01 56.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -58.86 143.86 46.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.328 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.03 -39.84 2.07 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.567 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -78.99 131.07 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.7 m -70.17 -166.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.445 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.673 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 8.2 t70 -67.42 -50.36 59.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.072 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -40.36 94.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.63 -36.79 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.405 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.673 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 76.9 m-20 -52.03 136.13 29.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.018 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 t -128.33 131.68 48.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.445 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.647 ' NE1' HD13 ' A' ' 39' ' ' LEU . 8.8 m95 -66.66 101.83 0.84 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.944 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.619 ' HB3' HD21 ' A' ' 58' ' ' LEU . 88.4 tt0 -88.13 137.63 31.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.189 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.66 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 9.6 Cg_endo -53.23 133.68 53.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.422 2.082 . . . . 0.0 111.768 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.9 tt0 -52.79 -30.37 32.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.578 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -57.21 -52.22 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.839 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.426 ' OD1' ' HG2' ' A' ' 54' ' ' PRO . 32.4 m120 -70.66 -31.29 68.16 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.731 ' HA ' ' HB1' ' B' ' 7' ' ' ALA . 17.3 mt -50.23 140.27 13.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 111.453 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.498 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 29.2 m-20 -127.92 41.11 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.19 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.747 ' SG ' HD11 ' A' ' 63' ' ' LEU . 8.9 p -144.02 59.76 7.37 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.224 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.93 -9.18 11.27 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.364 2.042 . . . . 0.0 112.053 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 35.0 t70 -65.79 -64.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.547 -179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.747 HD11 ' SG ' ' A' ' 60' ' ' CYS . 0.5 OUTLIER -68.42 -32.83 73.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.168 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 63' ' ' LEU . 77.4 mt -58.77 -41.8 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.42 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 71.8 mm-40 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 49.1 t80 -69.64 -51.97 30.04 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.031 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.648 ' N ' HD12 ' A' ' 68' ' ' LEU . 3.3 mp -78.23 -48.15 16.43 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -46.5 -42.73 16.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -64.47 -42.86 95.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.187 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.115 -179.851 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 23' ' ' VAL . 3.2 mm100 . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.871 0.367 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 22' ' ' VAL . 27.5 p -155.78 154.05 30.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -155.67 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.579 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 89.7 mtm-85 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.329 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.717 0.294 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -90.81 89.5 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.9 m-85 -62.46 133.66 55.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.136 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.88 ' HA ' HG22 ' B' ' 6' ' ' THR . 56.7 t -57.84 -47.28 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' TYR . 21.3 t 65.72 133.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.187 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -73.87 -55.97 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.42 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt 179.64 136.75 0.11 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.5 130.48 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.131 179.145 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.818 HD21 ' HB2' ' A' ' 41' ' ' LYS . 2.7 mm? -86.87 -71.43 0.55 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.971 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.5 m-20 -124.96 143.88 50.66 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB2' ' HE2' ' A' ' 67' ' ' PHE . 78.4 ttt180 -97.76 146.86 24.96 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 45.2 ttt85 -154.31 160.82 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.077 0.465 . . . . 0.0 111.652 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 36' ' ' VAL . 19.1 t -150.38 131.2 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.977 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 33' ' ' LYS . 19.6 m -98.63 -129.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' HG23 ' A' ' 32' ' ' VAL . 24.3 pttm -52.2 -21.75 3.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.654 0.264 . . . . 0.0 111.271 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.47 -26.97 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.141 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 31' ' ' VAL . 58.9 mtpt -60.39 159.38 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.051 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.678 ' HA ' HG22 ' A' ' 31' ' ' VAL . 3.3 t -122.46 89.7 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.729 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.631 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -88.62 130.69 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 111.554 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 43.0 m-85 -114.44 130.68 56.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.669 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.971 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 11.6 tp -74.88 141.85 44.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.4 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 26' ' ' VAL . 67.5 mt -139.88 135.63 33.09 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.818 ' HB2' HD21 ' A' ' 27' ' ' LEU . 28.0 tptp -89.22 73.22 8.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.562 ' NE1' ' HB ' ' A' ' 51' ' ' THR . 29.0 m95 -52.93 129.92 31.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.355 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.585 ' HD3' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -66.82 150.66 48.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.611 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.19 -49.66 3.58 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.686 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.47 140.65 55.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.322 . . . . 0.0 110.801 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m -53.17 151.12 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 10.9 m-20 -52.05 -38.54 57.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.86 -29.28 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.582 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.47 42.34 0.12 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.803 ' HB3' HD11 ' A' ' 39' ' ' LEU . 88.6 m-20 -68.55 142.78 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.572 0.225 . . . . 0.0 110.48 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.562 ' HB ' ' NE1' ' A' ' 42' ' ' TRP . 66.9 m -143.19 129.06 19.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.177 0.513 . . . . 0.0 111.529 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.582 ' NE1' HD13 ' A' ' 39' ' ' LEU . 13.1 m95 -93.71 138.71 31.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.032 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 58' ' ' LEU . 58.1 mm-40 -119.09 143.92 34.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.913 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 47.7 Cg_endo -67.11 26.9 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.822 2.348 . . . . 0.0 114.7 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.547 ' CA ' HD23 ' A' ' 58' ' ' LEU . 34.6 tt0 68.72 -42.05 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -57.82 -44.54 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -65.89 -27.03 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.389 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -54.14 108.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.196 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.585 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -85.49 -22.86 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 109.498 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.635 ' SG ' HD12 ' A' ' 63' ' ' LEU . 11.5 p -93.42 102.76 8.1 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 59' ' ' ASP . 82.1 Cg_endo -78.8 -33.78 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.182 1.921 . . . . 0.0 112.045 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -54.71 -42.66 71.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.948 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.635 HD12 ' SG ' ' A' ' 60' ' ' CYS . 41.5 mt -59.68 -51.47 69.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.625 0.25 . . . . 0.0 111.401 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 77.2 mt -52.22 -46.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.632 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -64.93 -41.09 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.579 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -54.85 -46.8 74.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.428 ' HE2' ' HB2' ' A' ' 29' ' ' ARG . 15.8 t80 -65.64 -45.23 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.58 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 79.7 mt -63.13 -26.96 69.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.2 mm-40 -48.83 -43.32 38.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.56 0.219 . . . . 0.0 111.455 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 p -57.18 -43.96 83.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.613 179.495 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.563 ' C ' ' HB3' ' A' ' 60' ' ' CYS . 30.8 mt-30 . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.178 0.037 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.88 HG22 ' HA ' ' A' ' 22' ' ' VAL . 29.1 p 63.43 129.72 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.047 0.539 . . . . 0.0 112.372 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . . . -100.18 -132.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 7' ' ' ALA . 31.8 ttm180 . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -70.54 131.42 43.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.839 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 23' ' ' VAL . 4.1 m-85 -101.93 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.222 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.513 ' HA ' HG22 ' B' ' 6' ' ' THR . 46.3 t -54.69 -46.54 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.554 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 21' ' ' TYR . 17.4 t 64.48 127.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.368 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -79.22 -48.67 13.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -178.94 138.2 0.15 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.487 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.856 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -63.49 130.73 28.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.749 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 96.2 mt -79.95 -61.43 1.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.641 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.98 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 75.9 m-20 -133.85 -159.17 0.94 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 33.4 ttp180 -163.89 127.2 2.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.213 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 38.2 ptt85 -157.02 137.39 12.93 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 35' ' ' LYS . 59.8 t -85.4 140.49 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.049 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.7 HG23 ' HG2' ' A' ' 33' ' ' LYS . 27.7 m -93.97 -41.98 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 111.748 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.7 ' HG2' HG23 ' A' ' 32' ' ' VAL . 22.7 pttm -171.91 61.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.561 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.2 -22.81 27.61 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.611 ' HB2' HG22 ' A' ' 32' ' ' VAL . 14.2 mmmm -73.04 -151.25 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.149 0.5 . . . . 0.0 110.345 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.5 p -172.45 136.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.126 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -152.11 131.48 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.461 ' HB2' HD11 ' A' ' 58' ' ' LEU . 7.4 m-85 -106.48 130.32 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.143 0.497 . . . . 0.0 112.206 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.98 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 16.6 tp -65.32 139.75 58.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.856 HD23 ' HA ' ' A' ' 26' ' ' VAL . 29.7 mt -142.22 133.41 26.17 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 7.7 tmtm? -81.72 86.03 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.524 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.427 ' HH2' ' OE1' ' A' ' 53' ' ' GLU . 73.3 m95 -61.96 130.14 44.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.443 -178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -66.22 142.45 57.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.308 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -42.74 2.21 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.956 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.445 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 1.9 m-85 -73.79 131.67 41.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 57.9 m -59.7 157.02 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -50.54 -29.84 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 15.4 pt-20 -67.49 -40.61 85.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.223 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.466 ' OD1' ' HG3' ' A' ' 48' ' ' GLU . 37.2 m-20 -77.05 33.25 0.15 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -90.2 141.13 29.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.714 0.292 . . . . 0.0 110.752 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -144.62 132.89 21.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.082 0.467 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.545 ' NE1' HD13 ' A' ' 39' ' ' LEU . 11.1 m95 -72.9 111.13 7.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.726 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.534 ' HB3' HD21 ' A' ' 58' ' ' LEU . 86.3 tt0 -94.54 136.34 23.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.746 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.467 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.9 Cg_endo -54.73 133.99 60.24 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 44.1 tt0 -55.42 -33.07 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -50.48 -49.71 54.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.031 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -73.49 -33.9 65.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.02 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 53' ' ' GLU . 24.6 mt -53.6 134.56 41.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.992 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -121.92 39.22 3.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.133 0.492 . . . . 0.0 110.247 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.82 ' HB2' HD13 ' A' ' 63' ' ' LEU . 25.0 p -131.49 59.96 49.02 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.347 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 52.8 Cg_exo -54.48 -35.88 86.6 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.473 2.115 . . . . 0.0 112.032 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 65.6 t0 -58.62 -50.86 72.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.719 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.82 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -63.91 -43.59 95.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.603 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 74.8 mt -55.14 -42.16 63.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.604 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.5 mt-10 -57.11 -43.39 82.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.5 t80 -65.62 -44.22 87.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.2 mt -64.08 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.211 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 85.0 mt-30 -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -85.89 34.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 -179.822 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.479 ' OE1' ' HA ' ' A' ' 60' ' ' CYS . 43.8 mm-40 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.709 0.29 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 22' ' ' VAL . 69.3 p 53.5 -154.32 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.196 0.522 . . . . 0.0 112.247 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.56 -119.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.986 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.451 ' HB3' ' OE2' ' A' ' 53' ' ' GLU . 26.5 ttt85 . . . . . 0 N--CA 1.464 0.243 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 38.8 tt0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.049 0.452 . . . . 0.0 111.652 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.543 ' HG3' ' HE ' ' B' ' 8' ' ' ARG . 49.5 mt-10 -78.52 131.32 36.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.512 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 6.6 m-85 -121.09 134.45 55.26 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 110.731 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.624 ' HB ' ' HE3' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -55.38 138.52 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.247 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.821 HG21 HD22 ' A' ' 40' ' ' LEU . 8.3 p -134.66 138.04 50.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 111.439 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -74.08 -56.77 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.424 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.964 ' HA ' HD23 ' A' ' 63' ' ' LEU . 88.1 tttt -175.2 146.79 0.86 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.778 ' HA ' HD23 ' A' ' 40' ' ' LEU . 23.8 m -65.49 136.03 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 2.9 mm? -90.46 -19.32 24.02 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 19.0 t70 -179.64 -150.96 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.609 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.509 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 39.6 ptt180 -168.6 138.02 2.32 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.4 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.632 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.7 ptm180 -155.57 133.34 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.086 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -84.66 129.99 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.994 0.426 . . . . 0.0 111.597 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 35' ' ' LYS . 14.5 m -89.99 -124.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.615 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' HG23 ' A' ' 32' ' ' VAL . 18.4 ptpt -54.02 -24.39 16.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.139 0.495 . . . . 0.0 109.962 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.02 -25.97 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 32' ' ' VAL . 95.2 mttt -83.75 139.3 32.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.41 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.664 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 14.4 p -85.9 133.93 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.6 pt-20 -123.26 128.93 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.776 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 9.9 m-85 -102.29 123.8 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.25 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.969 HD11 ' HB3' ' A' ' 50' ' ' ASN . 16.1 tp -57.79 147.01 29.53 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.821 HD22 HG21 ' A' ' 23' ' ' VAL . 97.4 mt -147.01 128.91 15.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -84.89 103.86 14.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.529 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.795 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 68.2 m95 -82.23 130.11 35.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 111.953 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.624 ' HE3' ' HB ' ' A' ' 22' ' ' VAL . 10.3 mtmp? -65.07 146.45 54.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.285 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.27 3.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.403 ' H ' ' HD1' ' A' ' 45' ' ' PHE . 1.9 m-85 -68.83 140.47 55.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.513 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 54.7 m -49.76 138.17 14.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.68 -40.05 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.036 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -56.89 -32.64 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.513 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -74.83 37.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.969 ' HB3' HD11 ' A' ' 39' ' ' LEU . 65.5 m-20 -67.67 143.25 56.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 178.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.9 m -141.23 125.11 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.69 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.684 ' NE1' HD13 ' A' ' 39' ' ' LEU . 7.7 m95 -80.38 147.83 30.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.288 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.676 ' HB2' HD21 ' A' ' 58' ' ' LEU . 72.9 mm-40 -142.67 143.97 28.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.664 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 9.5 Cg_endo -52.91 132.21 46.04 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.567 2.178 . . . . 0.0 111.798 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.476 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 pt-20 -55.62 -34.41 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -52.75 -51.74 59.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.687 0.279 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.421 ' OD1' ' HG2' ' A' ' 54' ' ' PRO . 30.4 m120 -70.27 -34.89 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.665 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 53' ' ' GLU . 14.5 mt -51.42 120.51 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.032 0.444 . . . . 0.0 111.627 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.52 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.9 t70 -100.09 48.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.764 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.025 ' HB2' HD13 ' A' ' 63' ' ' LEU . 26.4 p -150.22 60.98 4.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.329 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.0 Cg_exo -54.46 -33.37 77.37 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.433 2.089 . . . . 0.0 112.025 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 8.8 t70 -55.98 -43.62 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.994 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 1.025 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.7 mp -65.89 -41.06 92.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.939 0.4 . . . . 0.0 110.215 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.571 ' O ' HD13 ' A' ' 68' ' ' LEU . 45.9 mm -56.38 -45.42 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.892 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.63 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.73 -44.55 93.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 97.4 mt-10 -51.42 -41.16 60.57 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.746 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.565 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 36.3 t80 -60.16 -57.53 12.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.278 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 64' ' ' ILE . 6.4 mp -60.61 -25.76 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 12.2 mm100 -50.19 -49.53 52.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.7 p -65.16 -39.37 92.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.617 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.545 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.911 0.386 . . . . 0.0 111.428 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 22' ' ' VAL . 52.5 p -150.83 128.1 11.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.21 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.795 ' HB3' ' HH2' ' A' ' 42' ' ' TRP . . . -117.56 123.78 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.188 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.543 ' HE ' ' HG3' ' A' ' 20' ' ' GLU . 99.6 mtt180 . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.041 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 38.3 mt-10 -68.82 132.78 47.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.367 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.88 130.03 44.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.393 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.5 t -52.95 118.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.773 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HB ' ' CZ3' ' A' ' 42' ' ' TRP . 7.1 p -119.9 135.11 61.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.242 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.82 -54.2 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.955 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -177.55 150.35 0.68 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.323 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.924 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -69.09 137.04 25.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.185 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 97.3 mt -92.84 -45.65 7.9 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.466 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.691 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 29.5 t0 -151.3 -160.83 1.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.546 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.482 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.3 ptt85 -168.79 135.77 1.89 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.305 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 40.1 ptt85 -156.2 134.58 11.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.041 0.448 . . . . 0.0 111.644 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -75.05 147.14 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.029 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.77 HG23 ' HG2' ' A' ' 33' ' ' LYS . 26.9 m -127.72 -33.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.5 ptmt -164.18 51.57 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.884 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.9 5.98 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.634 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -85.88 144.78 27.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 111.015 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -107.24 105.65 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.235 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 22.7 pt-20 -89.48 129.4 35.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.611 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.473 ' HB2' HD11 ' A' ' 58' ' ' LEU . 5.8 m-85 -106.7 131.18 54.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.234 0.54 . . . . 0.0 111.968 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.691 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 10.7 tp -64.49 143.44 57.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.986 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.924 HD23 ' HA ' ' A' ' 26' ' ' VAL . 72.3 mt -149.96 134.12 17.15 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 23' ' ' VAL . 40.7 ttmt -91.2 141.04 29.23 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.721 178.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.62 ' CZ3' ' HB ' ' A' ' 23' ' ' VAL . 10.8 m95 -126.22 136.28 52.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.07 0.462 . . . . 0.0 111.736 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.595 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -60.09 147.1 40.64 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.5 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.11 -52.9 4.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.606 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.08 141.09 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.707 0.289 . . . . 0.0 110.591 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 t -50.9 143.06 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 64.3 t0 -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 8.7 mp0 -58.64 -25.82 63.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.461 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -73.59 34.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.536 ' HB3' HD11 ' A' ' 39' ' ' LEU . 74.3 m-20 -72.93 141.36 47.83 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 48.4 p -129.66 128.41 42.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.673 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.7 m95 -80.97 108.97 15.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.591 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.766 ' HB2' HD21 ' A' ' 58' ' ' LEU . 31.0 mt-10 -100.9 150.31 36.93 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.348 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 38.4 Cg_exo -55.23 136.73 74.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.141 1.894 . . . . 0.0 111.7 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.99 -39.73 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.62 -44.91 89.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.809 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.584 ' HA ' HH21 ' B' ' 8' ' ' ARG . 3.9 m120 -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 53' ' ' GLU . 6.3 mt -59.46 127.79 33.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 111.643 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.926 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.0 t70 -102.28 49.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.332 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.668 ' HB2' ' HG3' ' B' ' 5' ' ' GLN . 24.0 p -163.23 65.47 1.51 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.442 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HA ' HD13 ' A' ' 64' ' ' ILE . 10.8 Cg_endo -53.77 -27.28 42.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.756 2.304 . . . . 0.0 112.112 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 55.2 m-20 -53.29 -46.9 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.6 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 66.5 mt -61.94 -44.75 96.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.241 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.583 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 mp -52.34 -45.93 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.986 0.422 . . . . 0.0 110.471 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -68.65 -41.61 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.015 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 54.0 mt-10 -59.72 -40.39 87.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.782 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.433 ' HB2' HG22 ' A' ' 26' ' ' VAL . 16.1 t80 -69.26 -45.84 68.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.7 mt -63.32 -20.72 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.95 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 48.3 mm-40 -48.83 -43.48 38.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.666 0.27 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.7 m -56.66 -47.28 80.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.064 0.459 . . . . 0.0 109.896 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.329 179.107 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' A' ' 60' ' ' CYS . 13.1 mp0 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.638 0.256 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.7 p -150.15 -35.33 0.16 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.926 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . 60.0 -152.63 0.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.584 HH21 ' HA ' ' A' ' 57' ' ' ASN . 84.8 mtm180 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.363 179.55 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.618 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 55.9 mt-10 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -79.29 76.35 5.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.892 -179.715 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.618 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 5.7 m-85 -61.09 132.75 54.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 110.567 179.256 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.0 t -59.77 137.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.47 HG21 ' HB3' ' B' ' 7' ' ' ALA . 47.8 t -125.6 125.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.926 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -76.63 -46.0 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 4.9 ttmp? -174.33 140.69 0.67 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.042 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.901 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -67.97 130.01 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.828 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 91.6 mt -77.75 -50.72 11.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.533 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.536 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 30.9 t0 -149.58 -151.66 0.4 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.288 -0.565 . . . . 0.0 112.035 -179.323 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 42.5 ttp180 -163.97 134.67 4.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.104 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 14.6 ptm180 -156.14 147.28 22.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.725 179.014 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 36' ' ' VAL . 8.6 p -135.96 141.3 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.607 179.307 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.859 HG23 ' HG3' ' A' ' 33' ' ' LYS . 14.3 m -119.72 -33.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.517 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.859 ' HG3' HG23 ' A' ' 32' ' ' VAL . 52.4 mttp -145.24 51.29 1.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.81 -8.31 7.92 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.571 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HD2' HG22 ' A' ' 32' ' ' VAL . 8.6 ptpt -89.0 43.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.759 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.7 p -36.32 95.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.363 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' A' ' 52' ' ' TRP . 13.8 pt-20 -89.11 126.66 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.581 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.537 ' HB2' HD11 ' A' ' 58' ' ' LEU . 15.0 m-85 -97.01 133.78 41.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.647 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.828 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.184 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.901 HD23 ' HA ' ' A' ' 26' ' ' VAL . 94.6 mt -143.23 129.81 20.19 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.648 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 3.6 tmmm? -85.49 110.16 18.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -92.0 140.39 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -62.52 146.09 52.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.274 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -43.58 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.023 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 2.6 m-85 -78.84 128.77 33.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.61 172.98 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.589 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 35.5 t70 -56.57 -42.47 78.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.3 -40.32 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 1.1 m-20 -62.37 -24.71 67.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.242 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 85.9 m-20 -45.39 145.85 1.11 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 111.45 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -144.83 130.59 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.409 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.779 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 5.4 m95 -69.32 128.89 38.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 -179.331 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.682 ' HB2' HD21 ' A' ' 58' ' ' LEU . 55.9 mm-40 -114.78 145.91 34.94 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.495 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.7 Cg_endo -54.66 134.61 63.24 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.44 2.093 . . . . 0.0 111.691 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 42.1 tt0 -52.7 -40.18 62.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.547 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.88 -46.87 74.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.477 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 2.8 m120 -64.4 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.96 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' A' ' 53' ' ' GLU . 12.1 mt -58.7 130.09 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.654 -178.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -111.82 43.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.61 178.806 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.683 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 56.3 m -125.8 61.39 38.17 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 59' ' ' ASP . 50.3 Cg_exo -53.67 -42.57 65.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.36 2.04 . . . . 0.0 112.556 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.47 ' H ' HE21 ' B' ' 5' ' ' GLN . 64.8 t0 -67.29 -48.72 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.405 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 43.2 mt -60.47 -45.05 95.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.342 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 60' ' ' CYS . 80.0 mt -55.31 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -55.26 -38.47 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 179.063 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 17.7 tp10 -58.61 -33.5 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.42 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.477 ' HB2' HG22 ' A' ' 26' ' ' VAL . 46.1 t80 -72.67 -55.63 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.248 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.667 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -64.06 -45.23 89.7 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 89.3 mt-30 -53.51 -42.82 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.589 0.233 . . . . 0.0 111.287 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.099 0.476 . . . . 0.0 110.348 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.911 179.719 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.683 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 12.2 mm100 . . . . . 0 N--CA 1.46 0.062 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.5 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 43.6 p 59.42 141.43 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.597 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.47 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -135.64 119.54 17.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.938 178.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 83.0 mtm180 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.302 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 5.5 tp10 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.663 0.268 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.8 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 40.7 mt-10 -81.65 117.55 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.006 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.22 131.35 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.712 179.516 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.647 ' HA ' HG22 ' B' ' 6' ' ' THR . 51.3 t -62.11 123.07 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 111.406 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 40' ' ' LEU . 58.9 t -96.66 128.32 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 179.296 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -72.68 -49.54 30.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD22 ' A' ' 63' ' ' LEU . 4.2 tppp? -178.41 135.63 0.15 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.491 0.662 . . . . 0.0 111.161 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.07 125.49 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.714 ' HB2' HD13 ' A' ' 39' ' ' LEU . 91.2 mt -86.24 -53.4 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.623 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 55.8 t0 -155.57 146.33 22.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.383 -0.527 . . . . 0.0 112.186 -178.758 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -96.84 146.34 25.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.129 179.151 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 78.0 ttt180 -153.96 161.82 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.081 0.467 . . . . 0.0 111.486 -178.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 t -147.95 138.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.373 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 p -156.61 128.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.639 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.614 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 4.9 ttmp? 61.13 37.01 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.367 0.603 . . . . 0.0 109.857 -178.793 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.83 -23.76 2.97 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.566 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.37 148.63 27.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 111.142 -179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' A' ' 38' ' ' TYR . 3.1 t -115.52 78.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.613 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 12.5 pt-20 -87.58 126.61 35.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.49 . . . . 0.0 111.205 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.618 ' HB2' HD11 ' A' ' 58' ' ' LEU . 25.0 m-85 -110.02 145.73 36.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.387 178.24 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -88.35 137.02 32.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.784 -179.731 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' LEU . 1.8 mm? -129.06 135.15 48.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.578 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -86.1 65.68 9.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.373 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.693 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 47.7 m95 -45.04 131.99 7.16 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 -178.522 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 14.6 ptmm? -63.25 143.69 57.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.895 -179.277 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.03 -40.68 1.91 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.106 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 m-85 -74.15 133.24 42.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 111.231 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -61.11 165.91 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.542 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 12.0 p-10 -53.03 -46.22 68.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.826 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.6 -37.59 87.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.408 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . 53.3 m-20 -56.32 -32.45 64.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.447 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.693 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 83.1 m-20 -45.66 143.45 1.98 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 110.926 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.568 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 5.9 t -135.88 132.58 36.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.811 -179.847 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.674 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 7.0 m95 -70.61 131.1 43.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' A' ' 58' ' ' LEU . 40.5 tt0 -126.84 136.92 29.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.073 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.575 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.5 Cg_endo -54.38 137.54 72.02 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.537 2.158 . . . . 0.0 111.957 179.763 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.456 ' HA ' HD12 ' A' ' 58' ' ' LEU . 4.8 tm-20 -51.05 -33.82 27.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.489 -179.356 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -49.75 -52.49 31.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.505 -179.675 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -75.18 -32.98 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.279 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 53' ' ' GLU . 26.4 mt -50.26 156.5 0.82 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.249 0.547 . . . . 0.0 111.921 -179.074 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' B' ' 5' ' ' GLN . 56.4 m-20 -142.93 45.21 1.58 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.575 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.679 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 78.7 m -132.51 54.91 15.1 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.27 -38.75 89.52 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.234 1.956 . . . . 0.0 111.907 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -63.51 -48.13 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.593 HD22 ' HE2' ' A' ' 25' ' ' LYS . 43.8 mt -64.3 -45.32 88.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.042 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 60' ' ' CYS . 87.6 mt -53.1 -38.74 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.18 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.47 -45.65 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.273 178.825 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.5 -39.31 83.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.807 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.53 -46.9 85.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.197 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.37 -38.71 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.715 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 88.3 mt-30 -52.36 -38.73 59.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.352 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.0 t -56.72 -49.04 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.009 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.991 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.679 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 10.2 mm100 . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.887 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.647 HG22 ' HA ' ' A' ' 22' ' ' VAL . 72.6 p -119.38 -162.31 0.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -174.11 43.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.979 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.8 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 61.1 mtt-85 . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.376 179.048 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -82.19 79.32 8.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.5 m-85 -60.12 140.68 56.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.608 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.698 ' HA ' HG22 ' B' ' 6' ' ' THR . 54.4 t -58.32 -39.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.474 -179.357 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' B' ' 7' ' ' ALA . 21.0 t 67.07 135.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.387 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 39.3 tt0 -78.5 -60.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.56 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.596 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 5.8 ttpm? 175.73 146.91 0.09 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.594 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.742 ' HA ' HD23 ' A' ' 40' ' ' LEU . 30.8 m -61.31 130.54 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.647 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 39' ' ' LEU . 93.8 mt -86.45 -19.85 29.0 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' HB2' ' CH2' ' A' ' 52' ' ' TRP . 49.5 m-20 -160.39 -154.5 0.38 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' HH11 ' A' ' 29' ' ' ARG . 44.7 ttp85 -169.0 113.84 0.57 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.485 -179.554 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.9 ptt180 -155.86 126.91 7.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.994 178.741 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.922 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 13.2 p -88.41 142.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.153 0.502 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.4 m -139.02 143.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.018 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HE2' ' HZ2' ' A' ' 35' ' ' LYS . 24.4 pttm 45.24 40.74 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.522 0.514 . . . . 0.0 111.667 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.89 -26.25 6.85 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.665 0.626 . . . . 0.0 114.665 178.474 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.734 ' C ' HG23 ' A' ' 31' ' ' VAL . 8.9 ptpp? -104.68 128.79 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.726 0.763 . . . . 0.0 111.609 -178.898 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.922 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 2.7 t -72.47 124.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.936 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -106.5 127.04 53.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 110.542 178.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.479 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 54.6 m-85 -108.97 121.84 45.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.007 179.78 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 19.5 tp -59.92 142.05 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.646 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 26' ' ' VAL . 93.0 mt -144.45 130.98 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 6.0 tmtm? -80.33 75.92 7.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.273 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.433 ' HZ2' ' HB2' ' A' ' 53' ' ' GLU . 56.7 m95 -52.34 124.05 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.774 -178.888 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -55.6 142.67 32.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.218 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.31 -43.09 2.46 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 2.5 m-85 -72.96 137.65 45.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.892 0.377 . . . . 0.0 111.306 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.41 154.95 9.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.01 -34.99 31.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.91 -38.63 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 31.0 m-20 -60.68 -18.44 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.612 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.629 ' ND2' ' HA ' ' A' ' 41' ' ' LYS . 3.0 m120 -43.11 144.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 111.43 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -146.61 130.71 17.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.447 -179.241 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.589 ' NE1' HD13 ' A' ' 39' ' ' LEU . 11.2 m95 -70.34 119.53 14.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.783 179.412 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.663 ' HB3' HD21 ' A' ' 58' ' ' LEU . 20.4 tp10 -109.55 130.85 22.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.32 -179.04 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.639 ' HB3' ' HD3' ' A' ' 35' ' ' LYS . 11.8 Cg_endo -55.32 140.0 81.65 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.718 2.279 . . . . 0.0 112.062 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 58' ' ' LEU . 4.5 tm-20 -53.35 -35.28 60.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.413 -179.503 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -51.37 -49.46 61.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.468 ' OD1' ' HG2' ' A' ' 54' ' ' PRO . 29.4 m120 -71.05 -36.74 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.042 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 53' ' ' GLU . 23.8 mt -52.38 129.37 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.398 -179.189 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -117.58 45.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' B' ' 6' ' ' THR . 24.7 p -160.26 62.1 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.084 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' PRO . . . . . 0.792 ' HA ' HD13 ' A' ' 64' ' ' ILE . 61.9 Cg_exo -51.84 -24.94 19.81 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' CG ' HE22 ' B' ' 5' ' ' GLN . 1.6 m-20 -53.15 -39.13 63.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.716 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 25' ' ' LYS . 81.6 mt -69.38 -40.38 77.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.717 0.294 . . . . 0.0 110.392 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.792 HD13 ' HA ' ' A' ' 61' ' ' PRO . 2.4 mp -57.68 -47.6 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.744 179.167 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.44 -41.42 96.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.272 179.078 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -55.55 -39.32 70.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.577 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 20.1 t80 -58.09 -56.94 15.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.653 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.5 mp -60.5 -42.97 97.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.496 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 37.0 mt-30 -52.65 -38.91 61.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 110.115 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.4 t -63.5 -44.15 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.076 179.155 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.168 -179.791 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.434 HE22 ' CG ' ' A' ' 62' ' ' ASP . 38.2 mm-40 . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.588 0.232 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 22' ' ' VAL . 37.8 p -155.98 140.73 17.06 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.581 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.868 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -135.04 120.44 19.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.159 178.891 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.512 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 83.9 mtm180 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.449 -179.327 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 89.1 tt0 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.721 0.296 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' B' ' 6' ' ' THR . 52.4 mt-10 -74.15 135.05 42.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.571 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.43 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 7.2 m-85 -124.88 139.49 53.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.411 . . . . 0.0 111.484 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.18 144.65 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.158 179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.818 HG21 HD23 ' A' ' 40' ' ' LEU . 5.9 p -153.11 128.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.479 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.78 -52.65 14.17 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -172.96 146.11 1.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.146 -0.221 . . . . 0.0 111.507 -178.483 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.634 HG12 ' HG ' ' A' ' 40' ' ' LEU . 25.2 m -63.66 135.47 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 41' ' ' LYS . 94.0 mt -76.17 -23.78 54.74 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.252 179.601 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 30.2 t0 -174.67 -145.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.52 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.499 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 74.2 ttt180 -168.47 139.89 2.7 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.094 -179.026 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.482 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.1 ptm180 -155.41 150.05 26.28 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.077 0.465 . . . . 0.0 111.964 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -121.05 127.37 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.376 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.677 HG23 ' HG2' ' A' ' 33' ' ' LYS . 33.6 m -92.87 -42.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 111.674 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.677 ' HG2' HG23 ' A' ' 32' ' ' VAL . 24.3 pttm -170.11 50.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.242 0.544 . . . . 0.0 109.77 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.25 -27.35 15.93 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -178.507 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HB2' HG22 ' A' ' 32' ' ' VAL . 30.0 mmmt -64.42 153.06 39.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.542 -0.329 . . . . 0.0 110.362 179.405 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.597 HG12 ' CE1' ' A' ' 38' ' ' TYR . 3.3 t -124.42 70.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.218 -179.335 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.1 pt-20 -88.02 131.4 34.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.088 0.47 . . . . 0.0 111.658 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.597 ' CE1' HG12 ' A' ' 36' ' ' VAL . 50.8 m-85 -113.7 144.69 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.968 179.485 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HG ' HD12 ' A' ' 27' ' ' LEU . 21.2 tp -87.48 149.77 24.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 23' ' ' VAL . 4.2 mp -148.16 137.46 22.11 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.905 -179.279 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 27' ' ' LEU . 17.0 tppt? -83.72 72.62 10.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.074 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.691 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 59.2 m95 -55.33 133.44 49.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.209 0.528 . . . . 0.0 111.708 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.55 142.82 56.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.742 -179.511 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.86 -45.8 2.79 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.645 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.79 135.8 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.474 ' HB2' ' OE2' ' A' ' 48' ' ' GLU . 51.7 m -55.68 150.42 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.411 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 2.5 p30 -54.92 -39.7 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' A' ' 46' ' ' SER . 1.1 pp20? -62.41 -29.27 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.59 -29.61 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.653 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 82.1 m-20 -43.48 141.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 -179.322 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -142.76 131.47 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.952 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.7 m95 -66.79 140.89 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.786 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.828 ' HG3' HD21 ' A' ' 58' ' ' LEU . 5.1 pt-20 -141.74 141.76 23.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -178.141 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.507 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.9 Cg_endo -54.25 139.62 72.7 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.147 2.565 . . . . 0.0 112.658 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.8 tt0 -58.8 -24.67 62.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.922 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -57.95 -51.65 68.77 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -69.44 -34.43 74.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.543 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.828 HD21 ' HG3' ' A' ' 53' ' ' GLU . 7.7 mt -54.49 125.43 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.791 -178.477 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.85 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 32.7 t70 -107.38 44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.286 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.0 p -164.09 60.67 0.86 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.47 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.6 -24.23 35.85 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.604 2.203 . . . . 0.0 111.877 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.598 ' HB2' ' NE2' ' B' ' 5' ' ' GLN . 1.5 m-20 -52.77 -38.58 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.798 HD21 ' HG3' ' B' ' 5' ' ' GLN . 50.7 mt -66.64 -46.35 76.06 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 179.807 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 86.3 mt -55.55 -48.12 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.494 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.593 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -66.02 -39.56 90.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.964 178.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -58.59 -42.56 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.673 179.637 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.2 t80 -63.72 -45.05 91.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.436 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 73.9 mt -65.04 -39.75 93.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.687 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.3 mm-40 -53.97 -35.92 62.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.305 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -55.4 -51.51 66.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.789 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.798 ' HG3' HD21 ' A' ' 63' ' ' LEU . 10.7 mm100 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.717 0.294 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 34.6 p -138.66 121.56 16.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.85 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -91.28 -15.74 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' B' ' 8' ' ' ARG . 46.6 ttm-85 . . . . . 0 N--CA 1.466 0.342 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.791 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.4 tt0 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 121.203 0.525 . . . . 0.0 112.295 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.553 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 1.3 mp0 -68.81 77.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.353 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -61.07 140.58 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.563 ' HA ' HG22 ' B' ' 6' ' ' THR . 40.8 t -55.64 142.85 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.674 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.99 HG11 HD23 ' A' ' 40' ' ' LEU . 95.3 t -138.66 133.48 42.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.8 179.731 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.99 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HD3' HD22 ' A' ' 63' ' ' LEU . 46.3 mmtm -156.57 144.51 19.46 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 111.489 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' A' ' 67' ' ' PHE . 6.5 t -64.89 117.93 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.716 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 7.5 mp -75.22 -59.46 2.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 38.5 t70 -164.06 150.59 11.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 29' ' ' ARG . 36.2 ptt85 -112.83 148.01 35.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.817 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.564 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.22 147.23 23.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.013 0.435 . . . . 0.0 112.061 -179.351 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 35' ' ' LYS . 39.0 t -108.72 133.31 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.023 178.817 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.742 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -80.85 -37.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.941 0.401 . . . . 0.0 111.62 -179.428 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HG2' HG23 ' A' ' 32' ' ' VAL . 18.4 ptpt -165.91 -30.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.3 0.572 . . . . 0.0 110.015 -179.769 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.39 -17.47 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.426 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.545 ' O ' HG13 ' A' ' 31' ' ' VAL . 12.8 mmmm -71.95 -161.83 0.08 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 6.4 t -153.71 137.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.179 179.407 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.648 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 16.7 pt-20 -152.15 132.43 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.205 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 5.1 m-85 -114.37 143.92 44.11 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.615 -179.708 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.886 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.48 134.41 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.746 179.285 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.99 HD23 HG11 ' A' ' 23' ' ' VAL . 6.4 mp -140.87 132.41 27.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.566 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.674 ' HB2' HD11 ' A' ' 27' ' ' LEU . 48.0 tptt -79.06 107.05 11.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.494 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.6 m95 -81.18 131.79 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 111.004 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -70.56 144.6 51.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.453 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.27 -50.25 3.95 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.11 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' H ' ' HD1' ' A' ' 45' ' ' PHE . 2.0 m-85 -62.65 145.38 54.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.616 0.246 . . . . 0.0 110.655 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.493 ' OG ' ' HB2' ' A' ' 49' ' ' ASP . 78.9 p -48.93 144.96 4.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.537 ' HB3' ' HZ1' ' A' ' 41' ' ' LYS . 27.6 m-20 -55.21 -45.29 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.406 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.83 -19.31 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.476 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 54.3 t0 -75.23 41.52 0.18 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.114 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.652 ' HB3' HD21 ' A' ' 39' ' ' LEU . 88.1 m-20 -64.96 139.19 58.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.494 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 87.6 m -138.41 130.85 28.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.956 0.408 . . . . 0.0 111.556 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.733 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 11.9 m95 -95.46 128.93 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.305 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.648 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 42.8 mt-10 -95.41 144.81 28.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.584 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 56.0 Cg_endo -71.15 35.14 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.565 2.177 . . . . 0.0 114.246 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.561 ' C ' HD23 ' A' ' 58' ' ' LEU . 42.5 tt0 67.01 -35.13 0.24 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 178.611 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 23.0 pt-20 -71.21 -50.83 28.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 32.8 m120 -59.59 -20.29 54.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.304 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD23 ' C ' ' A' ' 55' ' ' GLU . 0.9 OUTLIER -52.54 146.13 10.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.017 0.437 . . . . 0.0 111.373 -179.458 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.526 ' OD2' ' HG3' ' B' ' 8' ' ' ARG . 56.2 m-20 -151.55 46.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.097 179.564 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.537 ' HB2' ' HB2' ' B' ' 5' ' ' GLN . 25.4 p -145.06 62.17 8.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.537 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.86 -38.85 58.46 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.853 2.369 . . . . 0.0 112.351 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' B' ' 5' ' ' GLN . 2.2 p30 -60.3 -41.94 94.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.08 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 25' ' ' LYS . 42.0 mt -70.82 -45.01 65.35 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.775 0.321 . . . . 0.0 110.695 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.6 mt -52.98 -43.54 47.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.34 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.55 -41.01 93.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 27.4 t80 -62.39 -45.43 93.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.624 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.1 mt -76.1 -37.71 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -57.54 -39.88 77.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.5 t -59.41 -49.75 76.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.297 -179.742 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.288 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.537 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 5.2 pm0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 22' ' ' VAL . 30.0 p -148.72 -157.61 0.83 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.091 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.419 ' HB1' ' OE1' ' A' ' 53' ' ' GLU . . . 178.66 129.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.576 179.715 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 84.9 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.929 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.946 0.403 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.4 mmt 58.77 50.92 8.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.055 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.2 m -145.14 -147.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -65.84 133.53 51.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.696 0.284 . . . . 0.0 111.078 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -66.2 129.27 39.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -72.15 132.84 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.249 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 tt -176.07 46.69 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.003 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -176.58 140.64 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.725 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 66.44 135.59 0.02 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.307 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 39.7 tp10 -170.15 42.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.362 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG3' ' HA ' ' B' ' 10' ' ' SER . 8.6 mp0 -71.29 142.2 50.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.626 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.1 mt-10 -131.39 143.2 50.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.28 69.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.249 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.626 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 6.2 m-85 -61.44 138.42 58.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.688 0.28 . . . . 0.0 110.507 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.551 HG21 HH23 ' B' ' 4' ' ' MLY . 45.0 t -55.81 134.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' B' ' 7' ' ' ALA . 58.3 t -117.33 131.38 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -76.79 -53.94 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp 177.87 142.64 0.1 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.028 HG12 HD21 ' A' ' 40' ' ' LEU . 2.4 m -65.81 129.7 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' HG ' ' A' ' 39' ' ' LEU . 5.6 mp -78.46 -42.71 29.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.792 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' HB2' ' CH2' ' A' ' 52' ' ' TRP . 55.2 m-20 -153.67 -146.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.994 0.426 . . . . 0.0 112.104 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HG2' HH11 ' A' ' 29' ' ' ARG . 43.9 ttp85 -168.44 131.85 1.51 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.561 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.3 ptt180 -155.48 136.61 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.96 0.409 . . . . 0.0 111.434 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 35' ' ' LYS . 43.7 t -106.66 143.56 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.714 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.769 HG22 ' HG3' ' A' ' 33' ' ' LYS . 3.7 p -151.2 134.29 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.228 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.769 ' HG3' HG22 ' A' ' 32' ' ' VAL . 52.9 mttm 76.05 -37.15 0.3 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.66 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 144.92 -11.65 1.88 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.689 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 18.7 ptmt -79.74 -157.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.049 0.452 . . . . 0.0 111.244 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.674 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 46.3 t -148.7 138.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.6 130.61 11.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 111.528 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -115.18 130.05 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.083 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.626 ' HG ' HD13 ' A' ' 27' ' ' LEU . 9.8 tp -62.24 139.81 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.028 HD21 HG12 ' A' ' 26' ' ' VAL . 93.4 mt -143.88 130.55 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -83.57 123.42 29.75 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.25 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 21.6 m95 -101.12 131.75 46.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 5.0 ttmp? -66.2 144.92 56.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.527 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.19 -49.19 3.73 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.781 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.09 139.54 44.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -54.49 144.14 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -55.26 -31.4 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -58.21 -30.1 66.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.42 41.66 0.25 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.714 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -70.52 143.09 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 111.218 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 t -158.31 121.16 3.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.204 0.526 . . . . 0.0 110.887 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.455 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.7 m95 -77.34 112.3 13.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.483 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' B' ' 9' ' ' MLY . 50.2 mm-40 -95.25 146.11 30.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.469 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.674 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.5 Cg_endo -57.14 135.1 68.5 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.452 2.101 . . . . 0.0 111.862 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 38.6 tt0 -54.37 -42.55 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.562 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 11.7 pt-20 -55.03 -43.42 73.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.531 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m120 -66.08 -37.67 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 53' ' ' GLU . 15.1 mt -57.53 129.01 39.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -110.9 50.0 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.745 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' B' ' 5' ' ' GLN . 25.7 p -152.4 62.32 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.018 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.07 -33.13 82.5 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.609 2.206 . . . . 0.0 112.144 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.572 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 55.8 mt -63.71 -42.95 97.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.499 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.781 HD13 HG11 ' A' ' 26' ' ' VAL . 48.5 mm -55.03 -54.9 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -54.9 -36.55 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.578 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 9.8 tm-20 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.3 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.9 t80 -70.61 -52.39 21.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.092 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.1 mm? -73.07 -17.85 61.38 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 111.417 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.587 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 52.4 tt0 -58.93 -37.61 77.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.446 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 p -80.19 -45.02 18.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.933 0.397 . . . . 0.0 111.295 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -25.11 64.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.317 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 69' ' ' GLN . 14.9 ptmm? -65.95 -143.28 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.472 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.511 HG23 ' HG3' ' A' ' 72' ' ' LYS . 76.8 p 50.04 24.99 1.53 Allowed 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 176.87 -26.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 113.926 -1.488 . . . . 0.0 108.964 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 79.6 t60 -59.37 129.92 44.4 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.551 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HG2' ' HB2' ' A' ' 78' ' ' ASP . 88.9 tt0 70.52 -29.93 0.19 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.456 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.444 ' H ' ' C ' ' A' ' 75' ' ' HIS . 67.6 p 53.82 43.95 30.23 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.893 0.378 . . . . 0.0 110.951 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.43 ' HB2' ' HG2' ' A' ' 76' ' ' GLU . 58.0 m-20 -154.01 -133.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.57 -140.97 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.597 0.236 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.976 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.714 0.292 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.63 ' HD3' ' O ' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -56.35 141.71 40.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.97 0.414 . . . . 0.0 111.285 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -66.96 129.73 40.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.542 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.551 HH23 HG21 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.572 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mp0 -50.43 137.43 18.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.763 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.4 p -150.04 144.14 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.686 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -136.77 127.81 27.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.428 ' HD3' ' HB3' ' A' ' 18' ' ' GLU . 69.7 mtt-85 -66.88 119.97 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.325 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.712 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.473 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.451 ' HA ' ' HG3' ' A' ' 18' ' ' GLU . 40.7 t 48.2 45.43 19.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.88 0.372 . . . . 0.0 110.832 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -60.42 -54.98 39.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.376 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.76 -142.53 30.18 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.24 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.84 -130.59 35.81 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.726 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -166.78 136.97 3.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.314 . . . . 0.0 110.613 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 136.77 87.98 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.227 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.41 -43.95 12.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.58 2.186 . . . . 0.0 112.172 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.06 -136.98 40.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.588 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.529 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 m80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.467 0.175 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mmm 56.22 -133.82 1.43 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.772 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -167.59 -40.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.639 0.257 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 64.45 134.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.619 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 5.0 tp10 -174.31 37.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.138 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -78.75 139.88 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.431 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.672 ' HG ' ' HG2' ' A' ' 15' ' ' GLU . 64.8 tp -61.75 135.17 57.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.45 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.672 ' HG2' ' HG ' ' A' ' 14' ' ' LEU . 66.3 mm-40 65.36 146.92 0.03 OUTLIER 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -148.61 -39.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -56.82 138.14 53.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.684 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.728 ' HB3' ' HD2' ' B' ' 8' ' ' ARG . 50.5 mt-10 -55.24 134.92 50.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.124 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 8' ' ' ARG . 67.8 mm-40 -149.22 133.25 17.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 56.6 mp0 -80.29 135.65 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -125.43 139.05 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.739 HG21 HH13 ' B' ' 4' ' ' MLY . 39.1 t -59.08 143.81 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.516 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.962 HG21 HD23 ' A' ' 40' ' ' LEU . 6.4 p -143.13 133.14 21.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.059 0.457 . . . . 0.0 111.296 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -78.33 -54.23 6.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.141 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.666 ' HA ' HD23 ' A' ' 63' ' ' LEU . 87.1 tttt -172.62 146.04 1.63 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.676 0.274 . . . . 0.0 111.437 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.609 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 20.4 m -68.22 137.14 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 111.704 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.708 HD13 ' HG ' ' A' ' 39' ' ' LEU . 5.5 mp -83.52 -23.76 31.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.843 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.3 t70 179.95 -149.35 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.832 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.502 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.7 ptt180 -168.67 142.37 3.06 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.5 ptm180 -155.11 128.87 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.024 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 23.0 t -78.13 142.26 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.299 0.571 . . . . 0.0 111.742 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.403 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 34.9 m -147.07 135.39 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.016 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.496 ' NZ ' ' HD2' ' A' ' 35' ' ' LYS . 22.5 pttp 44.28 37.62 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.857 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.99 -32.42 4.34 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.826 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HD2' ' NZ ' ' A' ' 33' ' ' LYS . 63.6 mttp -90.47 131.06 36.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 112.0 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 12.1 p -81.58 140.87 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.435 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 12.7 pt-20 -128.82 127.63 42.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 29' ' ' ARG . 7.8 m-85 -100.21 143.89 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 40' ' ' LEU . 8.3 tp -82.94 142.64 31.26 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.962 HD23 HG21 ' A' ' 23' ' ' VAL . 6.5 mp -134.34 131.64 38.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HB2' HD11 ' A' ' 27' ' ' LEU . 56.0 tptt -77.11 74.49 3.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.856 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 67.4 m95 -56.09 124.52 18.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 0.0 111.529 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -65.16 141.62 58.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.554 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.73 -43.06 2.33 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.282 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 1.5 m-85 -69.19 138.17 53.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -56.82 152.97 11.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -51.95 -45.33 64.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.716 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.37 -34.25 77.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' OD1' ' HD2' ' A' ' 45' ' ' PHE . 9.8 t70 -62.0 -25.72 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.401 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.677 ' HB3' HD11 ' A' ' 39' ' ' LEU . 77.1 m-20 -42.83 136.06 2.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.959 0.409 . . . . 0.0 110.723 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.3 m -131.29 146.85 52.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.892 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.557 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.4 m95 -89.77 122.78 33.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.488 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.67 ' HB2' HD21 ' A' ' 58' ' ' LEU . 11.7 mp0 -106.96 151.75 40.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.959 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 36.1 Cg_exo -56.88 133.04 55.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.163 1.908 . . . . 0.0 111.428 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HG3' HD13 ' A' ' 64' ' ' ILE . 41.7 tt0 -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.009 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.58 -44.2 87.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 4.1 m120 -64.06 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.751 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 53' ' ' GLU . 11.9 mt -54.37 128.77 33.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.061 0.457 . . . . 0.0 111.961 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' B' ' 6' ' ' THR . 62.9 t0 -107.54 44.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.777 ' HB2' HD13 ' A' ' 63' ' ' LEU . 26.2 p -149.43 61.62 5.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.838 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.97 -29.16 26.39 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.597 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 36.6 t70 -57.06 -45.89 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.557 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.777 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -67.16 -46.78 72.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.712 0.291 . . . . 0.0 111.228 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.614 ' O ' HD13 ' A' ' 68' ' ' LEU . 69.4 mt -55.12 -39.99 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.991 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.97 79.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 69.5 mm-40 -60.55 -42.23 96.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.264 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.603 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 37.8 t80 -56.4 -53.66 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 64' ' ' ILE . 4.5 mp -67.44 -37.64 83.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.216 0.531 . . . . 0.0 109.976 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.417 ' OE1' ' HE2' ' A' ' 72' ' ' LYS . 4.5 tp-100 -55.36 -37.43 67.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.661 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.3 m -66.22 -46.4 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.045 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -76.25 29.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.35 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HE2' ' OE1' ' A' ' 69' ' ' GLN . 24.7 ttmm -82.44 126.17 31.91 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.454 ' O ' HG22 ' A' ' 73' ' ' THR . 11.6 m 55.71 33.42 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.388 0.613 . . . . 0.0 109.871 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 75' ' ' HIS . . . 53.47 40.82 31.91 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.588 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 74' ' ' ALA . 78.3 t60 72.49 -37.74 0.4 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.897 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 74' ' ' ALA . 17.5 tp10 -54.79 137.66 44.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.897 0.379 . . . . 0.0 111.07 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.1 p -145.52 43.23 1.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -63.33 -43.03 98.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -172.17 47.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.478 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.5 m . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.968 -179.904 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.783 0.325 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -64.5 -49.1 72.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 80.0 p 48.22 49.4 17.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.433 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.739 HH13 HG21 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.523 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -59.57 129.26 41.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.928 -179.281 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 25.0 p -158.13 152.05 23.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.395 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.856 ' HB3' ' HH2' ' A' ' 42' ' ' TRP . . . -147.28 131.6 17.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.728 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 52.5 mtm-85 -81.3 140.75 34.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.747 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.592 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.333 -0.151 0 CA-C-O 120.957 0.408 . . . . 0.0 110.291 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 97.2 p -179.96 136.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.873 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.486 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 70.5 p -51.83 120.36 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.3 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.62 136.9 36.53 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.401 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.28 -123.02 26.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.334 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -164.53 47.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.71 138.34 70.27 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.048 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.63 136.54 64.94 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.593 2.195 . . . . 0.0 112.55 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.69 133.18 2.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.402 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.598 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.521 0.2 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 85.9 mtp -62.49 125.88 25.42 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 m -78.63 139.87 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.4 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -170.58 120.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 179.85 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.207 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t 68.75 126.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.973 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HG ' ' HG3' ' A' ' 16' ' ' GLU . 31.6 tp -175.13 52.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.392 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -55.46 -43.98 75.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.541 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG3' ' HG ' ' A' ' 14' ' ' LEU . 44.3 mt-10 54.39 -146.53 0.55 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.807 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -86.84 -144.12 0.11 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.857 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.802 ' HB3' ' HG2' ' B' ' 8' ' ' ARG . 55.9 mt-10 -69.8 142.48 53.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.184 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -145.25 137.3 25.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.051 0.453 . . . . 0.0 111.07 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB3' ' CB ' ' B' ' 6' ' ' THR . 50.3 mt-10 -74.82 66.34 1.5 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.285 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -62.7 139.28 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -58.33 143.67 12.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.566 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.426 HG11 HD22 ' A' ' 40' ' ' LEU . 60.0 t -135.74 125.31 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.254 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -78.74 -47.61 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.866 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.662 ' HA ' HD13 ' A' ' 63' ' ' LEU . 52.2 tptt -175.47 138.38 0.4 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.369 0.604 . . . . 0.0 111.744 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.767 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.3 t -59.83 131.46 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.6 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.804 HD12 ' HG ' ' A' ' 39' ' ' LEU . 91.8 mt -88.83 -37.84 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.505 ' HB3' ' CH2' ' A' ' 52' ' ' TRP . 29.7 t0 -175.76 -157.89 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.646 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.49 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 37.8 ptt180 -169.14 144.73 3.27 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.6 ptt180 -155.02 129.72 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 35' ' ' LYS . 85.8 t -73.62 135.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.479 HG22 ' OE2' ' A' ' 37' ' ' GLU . 43.5 t -88.84 -42.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' H ' ' H ' ' A' ' 34' ' ' GLY . 21.6 ptmt -170.62 -15.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.012 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' A' ' 33' ' ' LYS . . . -166.36 -36.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.561 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -88.49 -159.96 0.6 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.535 HG23 ' OE2' ' A' ' 55' ' ' GLU . 1.8 t -150.12 109.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.66 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.1 pt-20 -88.82 126.06 35.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 8.5 m-85 -106.47 129.99 54.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.439 . . . . 0.0 111.778 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.804 ' HG ' HD12 ' A' ' 27' ' ' LEU . 26.1 tp -72.15 145.76 47.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 26' ' ' VAL . 82.2 mt -144.07 132.65 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.226 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 17.3 tppt? -83.06 66.55 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.097 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 42.2 m95 -47.54 132.92 13.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.44 140.72 58.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.38 -38.15 2.05 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.85 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.9 m-85 -72.0 132.76 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.216 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB3' ' OD1' ' A' ' 49' ' ' ASP . 47.3 t -65.98 162.9 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.781 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -50.95 -42.35 59.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.39 -36.55 84.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.512 ' OD1' ' HB3' ' A' ' 46' ' ' SER . 1.3 m-20 -59.48 -29.31 67.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.793 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.592 ' ND2' ' HA ' ' A' ' 41' ' ' LYS . 26.5 m120 -47.52 145.77 2.43 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.91 0.386 . . . . 0.0 111.197 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 t -154.03 146.77 24.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.644 ' NE1' HD13 ' A' ' 39' ' ' LEU . 5.2 m95 -88.77 144.9 25.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.229 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.873 ' HG2' HD21 ' A' ' 58' ' ' LEU . 4.3 pm0 -151.27 151.61 29.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.297 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.454 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 6.7 Cg_endo -48.09 135.47 24.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.062 2.508 . . . . 0.0 112.545 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.535 ' OE2' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -59.37 -33.61 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.447 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.78 -51.73 9.14 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.365 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.644 ' HB3' ' HB2' ' B' ' 8' ' ' ARG . 34.5 m120 -67.87 -38.46 83.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.873 HD21 ' HG2' ' A' ' 53' ' ' GLU . 12.1 mt -58.73 126.66 28.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.875 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.95 46.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.597 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.544 ' O ' HG13 ' A' ' 64' ' ' ILE . 26.7 p -122.8 56.78 8.95 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.794 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.69 -36.45 91.9 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.144 1.896 . . . . 0.0 111.812 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.29 -48.0 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.391 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 25' ' ' LYS . 21.4 mt -66.7 -41.95 87.21 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.873 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 60' ' ' CYS . 82.1 mt -55.53 -41.73 65.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 110.066 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.569 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -62.83 -46.09 89.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.226 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 95.3 mt-10 -60.66 -37.59 82.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.54 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -62.27 -48.97 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.303 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 60.4 mt -64.46 -34.61 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.776 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 36.7 mt-30 -51.36 -35.37 38.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.286 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.2 t -55.73 -52.54 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.65 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 74.2 mt-30 -91.36 111.87 23.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.642 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -179.47 125.75 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.097 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.479 ' O ' HG22 ' A' ' 73' ' ' THR . 9.2 m 46.98 31.14 1.43 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.275 0.559 . . . . 0.0 110.769 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 178.35 -43.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.452 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 16.2 m80 57.45 -129.03 1.66 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.73 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -164.39 -44.96 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -67.09 -47.06 72.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.846 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' A' ' 79' ' ' LYS . 50.6 t0 55.55 -133.38 1.59 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.517 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 79' ' ' LYS . 11.3 tmtt? -174.8 -47.71 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.781 0.325 . . . . 0.0 110.133 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.023 179.755 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.448 HH11 ' HG3' ' B' ' 2' ' ' ARG . 52.3 mtm-85 -65.61 -47.12 76.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -66.2 124.79 23.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.203 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.006 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.561 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 4.0 tp-100 -168.13 149.34 5.12 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.46 ' CB ' ' HB3' ' A' ' 20' ' ' GLU . 69.2 p -132.68 154.55 50.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -162.06 132.31 4.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.69 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.802 ' HG2' ' HB3' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -66.32 136.81 56.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.713 0.292 . . . . 0.0 110.947 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.442 HH23 ' CE2' ' A' ' 45' ' ' PHE . . . . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.127 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.586 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 83.6 p 52.93 43.0 32.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.599 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 18' ' ' GLU . 71.0 p -72.48 -53.01 13.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.767 0.318 . . . . 0.0 111.328 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.89 132.74 0.06 OUTLIER Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.534 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.43 57.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.623 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -155.01 49.63 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.099 0.476 . . . . 0.0 110.834 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.464 ' N ' ' HD3' ' B' ' 16' ' ' PRO . . . 53.84 58.55 12.85 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.543 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' B' ' 15' ' ' ALA . 44.7 Cg_exo -56.52 134.72 66.14 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.437 2.092 . . . . 0.0 112.286 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.33 -135.38 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.752 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.502 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.8 ptt? 40.65 46.37 2.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.62 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.42 -47.92 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 56.74 49.29 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 110.368 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -59.86 139.75 57.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.114 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.98 133.51 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.5 mt -81.49 44.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.46 -135.33 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -161.34 37.04 0.14 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.019 0.437 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -72.62 -29.76 63.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.772 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.919 ' HG2' ' HA ' ' B' ' 11' ' ' THR . 35.7 mt-10 -49.09 127.89 15.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.413 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -89.97 138.31 31.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.45 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 94.2 mt-10 -79.7 136.34 36.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -122.82 136.96 55.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.565 ' HB ' ' HD2' ' A' ' 43' ' ' LYS . 38.3 t -55.23 140.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.764 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' H ' ' B' ' 7' ' ' ALA . 58.9 t -139.88 129.09 28.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.487 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 89.1 tt0 -82.95 -58.81 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.587 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.584 ' HE2' ' OE1' ' A' ' 66' ' ' GLU . 5.0 mmmp? -159.39 139.55 11.97 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.264 0.555 . . . . 0.0 111.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.753 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.2 t -60.43 128.67 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.917 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 41' ' ' LYS . 86.2 mt -84.64 -39.11 19.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.025 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 45.4 m-20 -161.3 -153.06 0.28 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.361 0.6 . . . . 0.0 112.54 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 68.6 ttt180 -168.44 134.58 1.87 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.018 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 8.9 ptp180 -154.77 142.23 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 111.859 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 36' ' ' VAL . 13.3 t -114.12 137.81 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.974 177.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.5 p -161.94 132.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.167 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 32' ' ' VAL . 24.4 ttmm 71.64 20.77 4.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.321 0.582 . . . . 0.0 109.463 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.26 -19.43 13.45 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.026 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -87.12 155.34 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.068 0.461 . . . . 0.0 110.98 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 22.0 t -108.14 141.24 23.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.049 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -148.61 132.61 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.04 0.448 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 64' ' ' ILE . 15.3 m-85 -111.75 135.47 52.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.709 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD13 ' NE1' ' A' ' 52' ' ' TRP . 29.6 tp -74.52 147.54 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.753 HD23 ' HA ' ' A' ' 26' ' ' VAL . 90.7 mt -142.7 135.47 28.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.851 ' HB2' HD21 ' A' ' 27' ' ' LEU . 23.4 tptm -84.3 69.19 10.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.225 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.697 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 27.2 m95 -51.35 137.96 22.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.261 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -59.22 135.14 57.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.364 -179.412 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.76 -34.07 1.42 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.712 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.697 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.3 m-85 -72.35 128.49 35.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 111.369 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -78.52 -166.02 0.8 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.63 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 1.5 m-20 -61.33 -50.32 73.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.27 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.89 -42.14 99.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 1.3 m-20 -60.43 -33.77 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.793 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.63 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 82.0 m-20 -51.24 145.29 8.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.958 0.409 . . . . 0.0 111.31 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.6 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 7.8 t -145.52 131.36 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.763 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.672 ' NE1' HD13 ' A' ' 39' ' ' LEU . 9.4 m95 -72.52 126.47 29.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' HG2' ' HZ2' ' A' ' 42' ' ' TRP . 67.3 mm-40 -106.16 143.25 26.55 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.31 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.615 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 35.8 Cg_exo -58.42 142.92 98.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.328 2.019 . . . . 0.0 111.859 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -49.24 -38.21 25.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.622 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -73.95 -44.14 55.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.655 HD22 ' HA ' ' B' ' 10' ' ' SER . 4.8 m120 -59.54 -60.62 3.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -57.14 144.75 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.042 0.449 . . . . 0.0 111.81 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.719 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 39.0 t70 -114.49 53.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.529 ' O ' HG13 ' A' ' 64' ' ' ILE . 62.7 m -128.11 58.24 32.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 31.9 Cg_exo -58.34 -42.62 54.05 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.393 2.062 . . . . 0.0 112.39 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.642 ' H ' HE22 ' B' ' 5' ' ' GLN . 1.3 m-20 -60.09 -43.6 95.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.405 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.436 ' HG ' ' OE1' ' B' ' 5' ' ' GLN . 48.0 mt -68.4 -40.31 81.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 58' ' ' LEU . 92.1 mt -57.56 -46.92 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.57 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.97 -42.66 84.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.276 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.584 ' OE1' ' HE2' ' A' ' 25' ' ' LYS . 39.8 tt0 -60.41 -36.41 78.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.2 t80 -64.63 -49.45 71.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.053 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 68.2 mt -61.51 -33.74 74.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.463 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 87.1 mt-30 -52.7 -39.26 61.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 72' ' ' LYS . 55.3 m -64.84 -36.01 82.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.79 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 95.7 mm-40 -72.79 22.15 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.619 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 70' ' ' SER . 56.3 tttm -82.04 -126.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.599 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.9 m -58.64 -50.62 73.17 Favored 'General case' 0 C--O 1.231 0.132 0 CA-C-O 120.792 0.329 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 76' ' ' GLU . . . -63.66 -53.37 52.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.79 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 24.0 t-80 57.83 -79.93 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.666 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 74' ' ' ALA . 16.5 pt-20 -56.24 145.4 26.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.36 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 t -168.04 140.2 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.067 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 61.74 52.31 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -58.11 136.26 57.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.071 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.064 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.714 0.292 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.414 ' HG2' HH11 ' B' ' 2' ' ' ARG . 52.0 ttp85 -171.2 -45.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.992 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.718 HG22 ' HD2' ' B' ' 4' ' ' MLY . 3.3 m -159.94 -134.82 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.259 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.718 ' HD2' HG22 ' B' ' 3' ' ' THR . . . . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.642 HE22 ' H ' ' A' ' 62' ' ' ASP . 81.4 mt-30 -72.77 138.01 46.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.065 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.629 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 67.2 p -104.72 124.23 49.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.719 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -97.28 135.71 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.903 0.382 . . . . 0.0 110.738 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.574 ' HD3' ' HB2' ' A' ' 18' ' ' GLU . 65.2 mtt-85 -65.76 141.23 58.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.604 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.527 ' HG2' ' O ' ' B' ' 9' ' ' MLY . . . . . . . . 0 CA--C 1.532 0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.221 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.655 ' HA ' HD22 ' A' ' 57' ' ' ASN . 84.8 p 47.84 75.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.508 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.919 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 72.7 p 53.85 56.27 7.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.573 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.5 142.7 32.75 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.446 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 137.61 1.75 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.47 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.59 -49.29 78.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.678 0.275 . . . . 0.0 111.073 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.567 ' H ' ' HD2' ' B' ' 16' ' ' PRO . . . -175.97 -50.08 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.635 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.567 ' HD2' ' H ' ' B' ' 15' ' ' ALA . 80.1 Cg_endo -76.88 39.33 0.7 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.167 1.911 . . . . 0.0 112.577 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.41 -45.58 84.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.449 -1.195 . . . . 0.0 112.613 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.8 t60 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.716 0.293 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -58.64 132.69 54.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.489 HG23 ' HG3' ' A' ' 11' ' ' GLU . 18.1 m -151.09 -142.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.658 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.489 ' HG3' HG23 ' A' ' 10' ' ' VAL . 55.7 mt-10 64.55 137.43 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.917 0.389 . . . . 0.0 111.414 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -172.36 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.782 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.65 131.82 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 34.1 tp -176.25 42.89 0.01 OUTLIER 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.332 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.55 135.06 48.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.06 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -62.04 -34.47 76.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.731 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -52.09 147.29 7.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.808 ' HA ' ' HB ' ' B' ' 11' ' ' THR . 83.9 mt-10 -51.56 125.28 14.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.143 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.2 mt-10 -90.88 135.7 33.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.788 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -76.62 130.22 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.479 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 4.7 m-85 -116.18 140.55 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.803 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.0 t -57.43 135.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.32 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.729 HG11 HD12 ' A' ' 40' ' ' LEU . 65.6 t -118.33 133.48 65.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 38.3 tt0 -77.2 -53.78 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HA ' HD13 ' A' ' 63' ' ' LEU . 38.9 ttpt -178.29 135.89 0.16 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.232 0.539 . . . . 0.0 111.214 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.12 132.61 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.106 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.781 HD13 ' HG ' ' A' ' 39' ' ' LEU . 4.9 mp -91.79 -37.42 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.93 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.463 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.7 t70 179.56 159.84 0.74 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 8.0 ptm180 -96.89 162.46 13.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 74.1 ttt180 -153.68 162.06 41.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.798 0.333 . . . . 0.0 111.591 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 35' ' ' LYS . 73.4 t -147.56 139.03 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.404 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.684 HG23 ' HG2' ' A' ' 33' ' ' LYS . 27.3 m -105.51 -42.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.684 ' HG2' HG23 ' A' ' 32' ' ' VAL . 24.2 pttm -167.9 48.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.452 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.72 -33.87 5.28 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.71 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 31' ' ' VAL . 56.2 mtpt -70.86 -155.78 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.296 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 11.0 p -171.78 130.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.58 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' A' ' 30' ' ' ARG . 13.9 pt-20 -130.32 126.42 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.192 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 41.9 m-85 -100.05 148.65 24.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.663 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.781 ' HG ' HD13 ' A' ' 27' ' ' LEU . 8.9 tp -90.62 140.77 29.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.781 ' H ' HD12 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -131.92 136.09 47.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.37 -179.417 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 2.9 tmtp? -85.51 70.63 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.688 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 40.7 m95 -49.53 136.2 17.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.658 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -69.18 150.84 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.45 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.43 -40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.987 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.645 ' HD2' ' HB3' ' A' ' 49' ' ' ASP . 17.5 m-85 -77.09 -140.1 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.41 -0.116 . . . . 0.0 110.979 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 80.6 p -165.16 -166.02 0.96 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.621 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.1 m-20 -65.67 -46.91 77.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.674 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.1 pt-20 -68.51 -36.84 79.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.278 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.645 ' HB3' ' HD2' ' A' ' 45' ' ' PHE . 1.4 m-20 -71.45 -38.69 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.688 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 20.4 p30 -51.15 147.96 4.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 111.876 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.571 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 8.4 t -138.2 152.97 49.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.469 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.533 ' CZ3' ' HB2' ' A' ' 30' ' ' ARG . 6.5 m95 -86.75 128.71 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.433 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' B' ' 8' ' ' ARG . 15.2 mp0 -110.54 142.47 26.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.6 Cg_exo -61.58 147.09 96.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.492 2.128 . . . . 0.0 111.487 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -48.9 -36.47 17.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.218 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.26 -43.5 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.552 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.466 HD22 ' HA ' ' B' ' 10' ' ' SER . 5.6 m120 -62.7 -54.35 40.57 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.452 ' C ' HD12 ' A' ' 58' ' ' LEU . 3.3 pp -62.65 -167.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.908 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -172.07 56.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.226 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 26.0 p -135.73 58.37 23.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.134 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 51.4 Cg_exo -54.3 -38.62 88.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.598 2.198 . . . . 0.0 112.449 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 1.5 m-20 -58.29 -46.61 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.03 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HG ' ' HG3' ' B' ' 5' ' ' GLN . 25.9 mt -67.23 -41.53 85.53 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.903 0.382 . . . . 0.0 110.153 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 38' ' ' TYR . 81.9 mt -56.66 -40.54 70.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.169 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -67.94 -44.09 77.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.7 mt-10 -57.89 -35.55 71.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.459 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 28' ' ' ASP . 31.7 t80 -60.85 -49.93 75.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.155 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.41 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 58.7 mt -64.77 -39.94 94.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 85.8 mt-30 -54.99 -39.37 68.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.401 . . . . 0.0 110.713 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 75' ' ' HIS . 53.2 m -58.37 -44.62 88.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.86 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -69.75 -29.25 66.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.576 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 32.2 mmmt -50.7 126.66 16.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.58 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 73' ' ' THR . 17.4 m 53.02 42.41 32.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.162 0.506 . . . . 0.0 109.806 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 73' ' ' THR . . . 71.88 -62.99 0.44 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.187 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.434 ' HA ' ' O ' ' A' ' 70' ' ' SER . 19.8 p-80 179.69 -147.06 0.02 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.691 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.548 ' HG2' ' H ' ' A' ' 77' ' ' THR . 29.0 tt0 -174.87 -132.12 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.548 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 64.1 p 47.47 -140.66 0.55 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.516 0.198 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.01 140.08 58.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.709 0.29 . . . . 0.0 110.446 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 12.4 mptt -56.06 -53.6 55.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.047 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 86.8 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.246 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' B' ' 3' ' ' THR . 38.0 ptt180 -67.79 -51.24 51.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' B' ' 2' ' ' ARG . 87.9 m -93.59 137.92 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.328 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.653 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.533 ' HG3' ' HG ' ' A' ' 63' ' ' LEU . 1.3 mm-40 61.79 135.97 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.234 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.522 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 42.3 p -153.19 119.61 5.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.892 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.482 ' H ' HG23 ' A' ' 23' ' ' VAL . . . -101.37 127.54 47.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.886 0.374 . . . . 0.0 110.67 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.618 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 41.1 mtt85 -72.88 127.66 33.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.121 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.592 HH21 ' CE1' ' A' ' 45' ' ' PHE . . . . . . . . 0 CA--C 1.533 0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.029 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.466 ' HA ' HD22 ' A' ' 57' ' ' ASN . 48.4 t 45.79 46.26 11.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.593 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.808 ' HB ' ' HA ' ' A' ' 18' ' ' GLU . 73.1 m -58.91 -52.47 65.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 110.589 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.512 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -81.02 -132.43 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.397 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.39 42.81 99.0 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.835 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.32 128.92 38.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.581 0.229 . . . . 0.0 110.657 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.96 140.68 0.57 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.232 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -60.95 -45.08 21.43 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.663 2.242 . . . . 0.0 112.229 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.86 -45.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.552 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.333 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.8 t60 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.1 ptm -64.64 134.71 54.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.8 t -62.91 139.4 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.168 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.532 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 14.4 tp10 -69.14 -132.38 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' H ' ' HG3' ' A' ' 11' ' ' GLU . 95.8 mt-10 -73.97 -152.48 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.563 0.221 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t 62.19 129.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.059 0.457 . . . . 0.0 111.486 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 14' ' ' LEU . 6.1 mp -69.45 124.12 23.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.71 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' HA ' ' OE2' ' A' ' 17' ' ' GLU . 22.2 pt-20 -78.65 -137.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 66.25 40.04 3.93 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.956 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 15' ' ' GLU . 58.2 mp0 -93.39 -146.23 0.24 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.611 ' HB3' ' HD3' ' B' ' 8' ' ' ARG . 51.1 mt-10 54.04 48.19 21.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.606 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 96.1 mt-10 -80.5 134.96 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 111.207 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 41.7 mt-10 -77.95 134.59 37.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.511 ' HD2' HH22 ' B' ' 9' ' ' MLY . 10.2 m-85 -127.05 136.94 52.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.836 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.511 ' HA ' HG22 ' B' ' 6' ' ' THR . 61.9 t -57.77 138.37 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.9 HG11 HD23 ' A' ' 40' ' ' LEU . 25.5 t -133.08 135.72 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.59 -54.91 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.002 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.796 ' HA ' HD22 ' A' ' 63' ' ' LEU . 38.1 ttpt -177.24 142.78 0.36 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.143 0.496 . . . . 0.0 112.171 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -64.17 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.55 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.2 mm? -94.36 -43.12 8.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.2 m-20 -157.59 -148.73 0.21 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -167.99 131.54 1.63 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.905 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.469 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 41.2 ptt180 -155.98 139.74 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 35' ' ' LYS . 58.0 t -102.51 128.51 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' HG2' ' A' ' 33' ' ' LYS . 35.8 m -93.64 -40.64 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 111.698 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.741 ' HG2' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -171.52 55.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.739 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.95 26.46 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' O ' HG13 ' A' ' 31' ' ' VAL . 30.0 mmmt -67.11 155.14 39.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.662 HG12 ' HE1' ' A' ' 38' ' ' TYR . 14.8 t -128.1 61.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 24.5 pt-20 -87.78 129.44 35.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.232 0.539 . . . . 0.0 112.027 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.662 ' HE1' HG12 ' A' ' 36' ' ' VAL . 6.5 m-85 -105.04 151.93 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 14.4 tp -85.05 139.87 31.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.9 HD23 HG11 ' A' ' 23' ' ' VAL . 5.3 mp -150.88 134.57 16.47 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -81.48 124.86 29.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.222 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.611 ' HE1' ' H ' ' A' ' 51' ' ' THR . 18.1 m95 -99.57 136.15 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.555 . . . . 0.0 112.395 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.56 151.02 48.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.461 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 -52.4 4.45 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.666 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CE1' HH11 ' B' ' 9' ' ' MLY . 2.5 m-85 -71.01 -121.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.24 . . . . 0.0 110.76 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.2 p -156.91 149.55 23.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.707 0.289 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.605 ' HA ' ' HG2' ' A' ' 41' ' ' LYS . 19.1 m-20 -47.87 -48.13 31.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.59 -39.73 74.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.504 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.83 36.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.488 ' CG ' HD11 ' A' ' 39' ' ' LEU . 23.3 p30 -84.1 141.14 31.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.669 0.271 . . . . 0.0 110.607 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.611 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.4 t -132.06 132.91 43.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.342 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.537 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 8.8 m95 -72.73 124.77 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.596 ' HB2' HD21 ' A' ' 58' ' ' LEU . 4.1 mm-40 -112.08 144.07 30.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HG2' ' ND2' ' A' ' 57' ' ' ASN . 9.4 Cg_endo -53.05 137.66 62.39 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.561 2.174 . . . . 0.0 112.015 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 15.7 tp10 -55.13 -40.08 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -55.19 -42.79 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.514 ' ND2' ' HG2' ' A' ' 54' ' ' PRO . 1.6 m-80 -69.11 -39.26 79.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.494 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.648 HD22 ' HB1' ' B' ' 7' ' ' ALA . 12.5 mt -53.17 135.49 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.514 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.664 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 34.1 t70 -130.48 47.29 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.8 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' B' ' 7' ' ' ALA . 21.9 p -149.08 64.28 7.34 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.061 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HA ' HD12 ' A' ' 64' ' ' ILE . 75.2 Cg_exo -49.66 -23.42 8.09 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.61 2.207 . . . . 0.0 111.979 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.6 m-20 -55.81 -46.35 78.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.058 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 25' ' ' LYS . 40.1 mt -64.52 -44.3 91.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.961 0.41 . . . . 0.0 110.084 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.573 ' O ' HD13 ' A' ' 68' ' ' LEU . 71.6 mt -54.79 -43.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.28 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.97 -42.19 90.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.757 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 55.4 mt-10 -57.42 -38.61 74.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.709 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 28' ' ' ASP . 29.7 t80 -62.49 -58.9 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.656 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 64' ' ' ILE . 6.4 mp -63.08 -19.66 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.599 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 32.3 mt-30 -48.95 -38.77 23.98 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.164 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -72.46 -37.89 68.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.005 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.23 -9.96 13.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.224 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -41.99 -40.78 2.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.933 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -171.51 50.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.037 0.446 . . . . 0.0 110.965 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.04 66.6 0.88 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.642 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -41.91 -43.55 3.11 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.957 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -174.03 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.733 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 t -179.31 133.91 0.12 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -64.54 131.79 48.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -81.14 42.83 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.889 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.893 0.377 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -59.94 131.06 49.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.155 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.2 t 37.36 43.84 0.42 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.052 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.481 ' HG2' HG23 ' B' ' 6' ' ' THR . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 17.0 pt20 -78.41 125.14 28.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.555 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 69.2 p -153.14 126.33 8.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.348 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.664 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -109.61 125.3 52.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.611 ' HD3' ' HB3' ' A' ' 18' ' ' GLU . 99.1 mtt180 -59.71 135.07 57.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.427 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.511 HH22 ' HD2' ' A' ' 21' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.659 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 70.7 m 60.55 62.48 1.52 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.765 0.317 . . . . 0.0 111.38 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.603 HG22 ' HG2' ' A' ' 18' ' ' GLU . 71.3 p 53.6 47.18 24.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.734 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.18 46.89 93.41 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.543 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.97 -133.0 1.62 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -150.18 -38.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.595 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.77 55.56 4.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.48 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.51 132.71 27.92 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.356 2.037 . . . . 0.0 112.179 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.86 -47.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.569 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.532 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.1 m170 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.457 0.17 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.481 ' HG2' HG23 ' A' ' 10' ' ' VAL . 43.1 ttp -172.12 -124.11 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.481 HG23 ' HG2' ' A' ' 9' ' ' MET . 51.0 t -69.0 -45.12 80.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.685 0.279 . . . . 0.0 111.348 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -171.4 140.9 1.48 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.013 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.572 ' O ' HG12 ' A' ' 13' ' ' VAL . 9.8 pm0 -57.39 -41.82 81.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.728 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 12' ' ' GLU . 10.0 p 51.5 135.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.883 0.873 . . . . 0.0 112.933 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.557 HD23 ' H ' ' A' ' 14' ' ' LEU . 2.3 pt? -58.24 157.9 7.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -49.06 132.19 19.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.058 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -65.39 133.5 51.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.53 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 52.44 -147.93 0.44 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.513 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.918 ' HB2' ' HD3' ' B' ' 8' ' ' ARG . 54.4 mp0 -88.84 133.22 34.34 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.083 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 41.2 tt0 -72.52 135.12 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.981 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.517 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 96.7 mt-10 -77.43 131.0 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 4.0 m-85 -116.48 134.03 55.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' B' ' 6' ' ' THR . 47.5 t -61.89 135.24 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.0 HG11 HD23 ' A' ' 40' ' ' LEU . 49.0 t -121.56 132.08 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.82 -51.45 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.354 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.82 ' HA ' HD23 ' A' ' 63' ' ' LEU . 27.2 tptp -178.83 137.62 0.15 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.984 0.421 . . . . 0.0 111.702 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -58.87 143.49 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.141 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.706 HD23 ' HG ' ' A' ' 39' ' ' LEU . 2.6 mm? -107.52 -40.12 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.489 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.3 m-20 -156.56 -150.78 0.3 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HG2' HH11 ' A' ' 29' ' ' ARG . 44.5 ttt-85 -165.22 137.12 4.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.352 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -155.87 138.88 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.94 138.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.206 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.71 HG23 ' HG2' ' A' ' 33' ' ' LYS . 28.1 m -101.34 -41.59 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.976 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.71 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.7 pttp -167.66 56.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.46 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.36 13.86 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -89.93 133.81 34.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.97 0.414 . . . . 0.0 110.617 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 55' ' ' GLU . 8.4 p -95.88 144.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.267 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.05 127.95 13.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.134 0.492 . . . . 0.0 110.582 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.641 ' CE2' HG23 ' A' ' 64' ' ' ILE . 2.5 m-85 -100.22 158.34 15.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.597 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' A' ' 50' ' ' ASN . 14.2 tp -87.57 140.55 29.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.505 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.0 HD23 HG11 ' A' ' 23' ' ' VAL . 6.1 mp -140.62 129.63 23.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 1.1 tmtp? -79.14 119.17 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.49 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.9 m95 -91.75 132.93 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.074 0.464 . . . . 0.0 111.914 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.49 143.39 55.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.18 -48.48 3.59 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.393 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -66.43 140.03 58.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.617 0.246 . . . . 0.0 110.447 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.533 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 50.6 m -52.7 141.36 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.8 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.77 -39.84 62.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.38 -31.23 71.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.35 43.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.828 ' HB3' HD11 ' A' ' 39' ' ' LEU . 82.2 m-20 -65.19 139.74 58.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.276 . . . . 0.0 110.705 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.49 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 82.9 m -137.77 127.64 25.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.981 0.42 . . . . 0.0 111.323 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.496 ' CD1' HD13 ' A' ' 39' ' ' LEU . 16.5 m95 -85.41 141.17 30.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.824 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -131.7 141.04 40.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.331 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.509 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 Cg_endo -57.3 138.69 87.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.578 2.185 . . . . 0.0 111.799 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' HB2' HG13 ' A' ' 36' ' ' VAL . 40.4 tt0 -52.67 -33.71 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.407 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.06 -48.87 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.58 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 4.9 m120 -64.79 -56.47 13.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.782 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.637 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.7 pp -55.84 149.41 14.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.56 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.73 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 59.8 t0 -124.38 58.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.849 ' HB2' HD13 ' A' ' 63' ' ' LEU . 27.0 p -141.98 60.33 10.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD2' ' OE1' ' B' ' 5' ' ' GLN . 19.4 Cg_endo -59.64 -37.56 87.17 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.576 2.184 . . . . 0.0 112.451 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.92 -44.62 91.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.325 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.849 HD13 ' HB2' ' A' ' 60' ' ' CYS . 5.6 mp -67.7 -37.83 82.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.128 0.489 . . . . 0.0 109.809 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.641 HG23 ' CE2' ' A' ' 38' ' ' TYR . 85.0 mt -58.1 -49.64 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.655 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -61.06 -41.63 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.2 -32.05 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.522 ' HB3' ' O ' ' A' ' 64' ' ' ILE . 30.5 t80 -61.47 -56.4 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -64.89 -40.22 94.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.791 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 35.5 mt-30 -59.62 -42.42 92.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 75' ' ' HIS . 56.2 m -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.117 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -80.05 37.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.318 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.794 ' HE2' ' HA ' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -62.35 111.91 2.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.086 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 86.2 m 74.88 -47.16 0.62 Allowed 'General case' 0 CA--C 1.529 0.161 0 O-C-N 123.555 0.534 . . . . 0.0 110.612 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 73' ' ' THR . . . 176.74 43.02 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.435 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.523 ' HA ' ' O ' ' A' ' 70' ' ' SER . 32.6 t-80 64.95 142.14 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.897 0.379 . . . . 0.0 111.16 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -66.87 -139.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.299 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 78' ' ' ASP . 3.1 m -69.25 -136.18 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.716 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.562 ' H ' HG22 ' A' ' 77' ' ' THR . 1.5 m-20 -77.49 -149.74 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.689 0.28 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.19 135.3 41.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.881 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.481 0.182 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -64.83 -38.53 91.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.776 0.322 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.3 t -168.28 140.52 2.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.317 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.659 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.453 ' OE1' ' HA ' ' A' ' 60' ' ' CYS . 92.0 mm-40 64.71 132.84 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.558 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.553 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 39.7 p -152.98 116.34 4.67 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.73 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -84.63 135.28 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.468 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.918 ' HD3' ' HB2' ' A' ' 18' ' ' GLU . 91.4 mtt180 -66.74 143.95 56.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.712 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.389 -179.604 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.401 ' HA ' HD22 ' A' ' 57' ' ' ASN . 43.1 t 50.34 52.78 14.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.29 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.498 ' HA ' ' HG3' ' A' ' 18' ' ' GLU . 89.4 m 66.53 134.13 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.987 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.06 148.09 8.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.757 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.8 136.05 5.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.18 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -130.32 -140.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.526 0.203 . . . . 0.0 111.001 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . -56.44 139.12 74.92 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.334 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 23.5 Cg_exo -64.23 -130.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.824 2.349 . . . . 0.0 112.16 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.43 134.0 3.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.608 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.397 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 p80 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.426 ' HB3' ' H ' ' A' ' 10' ' ' VAL . 2.1 mpt? 67.06 -146.12 0.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.561 0.219 . . . . 0.0 110.551 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.426 ' H ' ' HB3' ' A' ' 9' ' ' MET . 17.5 m -151.57 42.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 120.788 0.328 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -62.31 119.84 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -80.85 -129.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t 67.8 129.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-O 120.9 0.381 . . . . 0.0 111.289 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.3 tp 61.78 114.62 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -80.21 40.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.52 -179.669 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -172.8 125.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.861 0.363 . . . . 0.0 111.056 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 178.91 134.53 0.09 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.511 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.509 ' HG2' ' H ' ' B' ' 12' ' ' GLY . 54.6 mt-10 55.67 47.82 19.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.81 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HG3' ' HE1' ' A' ' 21' ' ' TYR . 11.5 pt-20 -71.49 129.4 38.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.428 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 96.3 mt-10 -86.76 129.98 34.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m-85 -98.5 140.25 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' B' ' 6' ' ' THR . 59.5 t -57.71 -47.54 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.505 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 21' ' ' TYR . 17.5 t 65.23 128.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.22 -52.19 17.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HE2' ' HB3' ' A' ' 66' ' ' GLU . 61.6 tttm 178.71 139.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.277 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.774 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -60.76 129.95 24.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.935 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 98.0 mt -80.65 -56.2 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.797 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.94 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.7 m-20 -137.81 -166.08 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -160.15 140.26 11.55 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.679 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.7 ptm180 -155.79 154.04 30.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.969 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.3 t -121.28 136.15 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.91 0.386 . . . . 0.0 111.192 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.99 127.75 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.371 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt 42.08 38.06 1.0 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.317 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.96 37.63 49.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.594 ' HZ2' ' HB3' ' A' ' 35' ' ' LYS . 5.1 mmmp? -122.06 140.43 52.52 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.735 0.302 . . . . 0.0 110.585 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 48.0 t -92.45 134.92 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.807 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.7 pt-20 -154.3 135.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.215 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 23.5 m-85 -127.56 135.23 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.94 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 14.5 tp -75.34 137.83 41.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.917 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.774 HD23 ' HA ' ' A' ' 26' ' ' VAL . 79.5 mt -137.1 132.14 33.67 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' HD21 ' A' ' 27' ' ' LEU . 27.8 tptp -86.24 76.43 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.306 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 30.6 m95 -55.3 131.35 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.576 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.26 139.08 58.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.431 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.74 -40.1 2.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.161 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 4.6 m-85 -72.54 137.21 46.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.998 0.427 . . . . 0.0 111.498 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.0 m -62.51 157.23 20.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p30 -53.73 -37.59 63.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -61.61 -36.65 81.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.019 0.438 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -61.4 -28.05 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.837 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 86.7 m-20 -44.75 142.49 1.71 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 111.346 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.412 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 7.5 t -147.52 128.82 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.987 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.489 ' CE3' ' HG2' ' A' ' 30' ' ' ARG . 11.5 m95 -70.46 140.38 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.144 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.873 ' HG3' HD21 ' A' ' 58' ' ' LEU . 6.7 pt-20 -148.5 145.48 20.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.767 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.504 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 9.3 Cg_endo -51.46 136.49 48.26 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.143 2.562 . . . . 0.0 113.388 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.54 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 43.5 tp10 -60.3 -30.89 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.095 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -49.28 -51.27 34.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -69.94 -37.61 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.873 HD21 ' HG3' ' A' ' 53' ' ' GLU . 7.4 mt -56.86 125.32 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.14 53.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.295 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.572 ' HB2' ' HB3' ' B' ' 5' ' ' GLN . 26.0 p -151.94 57.24 2.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.3 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.33 -31.55 47.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.695 2.263 . . . . 0.0 112.152 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.78 -50.49 72.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.663 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 54.7 mt -59.37 -45.18 92.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.561 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.9 mp -52.45 -41.17 35.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -61.62 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.354 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -58.26 -41.7 84.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 179.522 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.471 ' HB2' HG22 ' A' ' 26' ' ' VAL . 15.9 t80 -68.42 -44.75 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.641 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 76.1 mt -65.66 -41.87 92.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.81 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 89.4 mt-30 -55.22 -36.06 65.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.113 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -53.34 -47.53 69.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.92 -60.95 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.614 ' HG2' ' H ' ' A' ' 73' ' ' THR . 82.0 tttt 48.79 -133.34 1.47 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.726 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.614 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 69.3 p -83.04 40.93 0.72 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.905 0.383 . . . . 0.0 110.152 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 65.23 128.69 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.985 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -33.23 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.597 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -175.21 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -63.28 137.08 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.4 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.83 136.4 0.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.779 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.48 42.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.35 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.257 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.665 0.269 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 58.71 47.82 12.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p -56.58 -41.41 76.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.745 179.824 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.663 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 15.4 mp0 -108.98 132.79 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.532 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 20' ' ' GLU . 55.0 p -152.07 147.46 26.51 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 111.677 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.54 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -148.35 130.01 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.412 HH11 ' HG3' ' B' ' 8' ' ' ARG . 51.2 mtm-85 -80.16 161.32 25.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.718 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.492 ' HE3' ' CZ ' ' A' ' 21' ' ' TYR . . . . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.383 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t 57.34 40.62 27.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.126 0.489 . . . . 0.0 110.551 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -69.67 -133.16 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.509 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -57.86 139.3 47.43 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.72 -134.05 1.78 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.393 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt 67.01 -73.34 0.08 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.392 0.277 . . . . 0.0 111.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.54 135.79 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.175 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.574 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.41 133.6 46.98 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.578 2.185 . . . . 0.0 112.275 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.4 136.84 45.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.521 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.554 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.747 0.308 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -172.08 140.39 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.632 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -57.02 134.47 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.799 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 4.6 tp10 59.34 -125.28 1.26 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.039 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.526 ' HG2' ' H ' ' A' ' 13' ' ' VAL . 74.9 tt0 -177.04 -129.79 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 8.6 p -61.83 138.26 22.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.719 0.295 . . . . 0.0 110.782 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.9 tp -167.24 129.11 1.63 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.076 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.82 -141.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.796 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.78 139.68 51.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.833 0.349 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -58.62 -28.24 65.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.672 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.758 ' HG2' ' H ' ' B' ' 12' ' ' GLY . 91.1 mt-10 -48.09 130.48 15.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.999 0.428 . . . . 0.0 111.643 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 4.8 mm-40 -93.67 149.24 21.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.025 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 46.7 mt-10 -77.82 136.27 38.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.988 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.443 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 9.0 m-85 -128.75 139.96 51.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG22 HH12 ' B' ' 4' ' ' MLY . 53.1 t -54.01 140.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.624 ' CG1' HD22 ' A' ' 40' ' ' LEU . 82.3 t -129.93 127.61 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.435 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -81.97 -54.13 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.716 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.715 ' HA ' HD12 ' A' ' 63' ' ' LEU . 63.5 tttp 177.92 140.14 0.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.7 ' HA ' HD23 ' A' ' 40' ' ' LEU . 17.7 m -63.22 133.65 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.911 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 3.0 mm? -87.12 -17.04 33.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.577 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 31.2 t0 -176.36 -147.67 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.072 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 43.4 ttp85 -168.9 136.17 1.89 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.192 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.4 ptt180 -155.45 141.89 18.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.972 0.415 . . . . 0.0 111.95 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.29 137.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.151 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.762 HG23 ' HG2' ' A' ' 33' ' ' LYS . 34.8 m -104.58 -38.8 5.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.405 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.762 ' HG2' HG23 ' A' ' 32' ' ' VAL . 22.1 pttp -167.85 45.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.76 -35.63 4.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -82.2 142.45 32.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.001 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.726 ' HB ' ' HG3' ' A' ' 55' ' ' GLU . 2.4 t -110.58 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.93 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.7 127.52 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.165 0.507 . . . . 0.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.502 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 21.7 m-85 -104.75 126.15 51.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.105 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 50' ' ' ASN . 14.7 tp -59.79 143.45 51.04 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 26' ' ' VAL . 74.8 mt -145.48 133.04 20.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 6.9 tmtm? -86.42 96.59 10.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.8 178.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.472 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 40.4 m95 -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 112.247 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -66.35 142.05 57.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.92 -49.69 3.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.609 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.11 141.5 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.522 0.201 . . . . 0.0 110.503 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.515 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.8 m -50.07 139.5 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.747 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -52.17 -46.46 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.962 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.5 pt-20 -57.39 -31.59 65.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.268 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.515 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -76.33 39.32 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.832 ' HB3' HD11 ' A' ' 39' ' ' LEU . 67.4 m-20 -68.23 142.73 55.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.472 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 90.9 m -136.35 128.2 29.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.431 . . . . 0.0 111.821 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.654 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.9 m95 -78.7 149.17 32.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.16 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.499 ' O ' HD23 ' A' ' 58' ' ' LEU . 65.1 mm-40 -140.39 128.92 12.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.673 0.273 . . . . 0.0 111.364 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.52 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 Cg_exo -56.01 143.56 82.48 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.577 2.185 . . . . 0.0 111.778 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.726 ' HG3' ' HB ' ' A' ' 36' ' ' VAL . 54.9 mt-10 -50.56 -37.04 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.887 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.94 -49.47 70.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.662 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -66.26 -53.97 30.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 58' ' ' LEU . 3.0 pp -61.14 166.14 3.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.076 0.465 . . . . 0.0 111.46 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.786 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 38.8 t70 -137.4 50.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.662 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.761 ' HB2' HD23 ' A' ' 63' ' ' LEU . 24.7 p -128.32 54.88 14.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.24 -45.11 43.43 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.591 2.194 . . . . 0.0 112.562 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.72 -33.81 66.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.002 0.429 . . . . 0.0 110.488 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.761 HD23 ' HB2' ' A' ' 60' ' ' CYS . 2.6 mm? -67.0 -44.37 80.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.808 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 64' ' ' ILE . 2.0 mp -60.84 -47.22 94.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 110.676 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -59.67 -46.43 89.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -59.16 -41.58 88.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.571 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 29.2 t80 -55.45 -49.29 72.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.161 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.59 -37.79 85.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.474 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 98.2 mm-40 -54.23 -40.61 67.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.2 t -55.04 -36.37 65.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.771 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 71.3 mt-30 -77.31 54.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.21 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.568 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 6.2 ttpm? -167.72 132.97 1.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.869 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 73' ' ' THR . 10.2 m 53.56 28.06 7.38 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.448 0.642 . . . . 0.0 110.17 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 178.0 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.204 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.771 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 22.6 t-80 58.81 -122.4 1.25 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.301 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -78.46 34.44 0.21 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.613 0.244 . . . . 0.0 111.198 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.4 ' H ' ' C ' ' A' ' 75' ' ' HIS . 71.0 p 54.24 111.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.02 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -74.3 -43.38 57.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.804 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.606 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 5.7 ttpm? -170.65 134.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.652 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.777 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.541 0.21 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.505 ' HA ' ' NE ' ' B' ' 2' ' ' ARG . 13.3 mmp_? 54.29 44.79 28.5 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.811 0.339 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.42 ' O ' HG22 ' B' ' 3' ' ' THR . 16.8 m -78.85 48.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.491 HH12 HG22 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 0.0 110.582 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' B' ' 5' ' ' GLN . 0.7 OUTLIER -75.98 140.87 42.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.612 -179.519 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 65.0 p -148.95 110.24 4.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.376 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.786 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -69.46 -155.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.742 HH12 ' HB2' ' A' ' 59' ' ' ASP . 63.7 mtt85 -156.08 137.98 14.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.02 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.431 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 53.4 m -58.24 122.64 13.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.612 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p 47.38 53.08 11.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.758 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -49.67 140.49 15.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.603 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' B' ' 14' ' ' LYS . . . 81.82 -45.39 3.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.206 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' B' ' 13' ' ' GLY . 62.6 tttp 73.43 -41.7 0.5 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 122.818 0.447 . . . . 0.0 111.788 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . 65.89 137.26 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.183 0 CA-C-O 120.783 0.325 . . . . 0.0 111.209 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 51.0 Cg_exo -54.66 131.96 48.81 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.477 2.118 . . . . 0.0 112.293 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.29 -44.53 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.434 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.678 179.865 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -58.45 -44.29 89.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.96 -41.0 90.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 58.45 53.89 5.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.041 0.448 . . . . 0.0 110.825 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -61.65 132.45 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t 63.88 137.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.759 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' N ' HD12 ' A' ' 14' ' ' LEU . 6.1 mp -63.7 135.42 56.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.569 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -63.23 136.78 57.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.082 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -62.48 137.68 58.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.175 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -121.48 -155.91 0.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.72 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.94 -47.36 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.875 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 56.94 125.83 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.584 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.887 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 0.9 OUTLIER -79.87 137.02 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.196 0.522 . . . . 0.0 112.014 -179.534 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -122.92 133.36 54.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.548 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 57.8 t -64.0 134.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.066 HG11 HD23 ' A' ' 40' ' ' LEU . 41.6 t -124.38 130.9 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.93 -50.12 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -179.69 142.32 0.17 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 64' ' ' ILE . 17.9 m -64.78 133.05 30.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.534 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 89.4 mt -78.36 -32.54 49.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.437 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.8 t70 -170.6 -153.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.878 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.509 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.4 ptt180 -168.61 142.27 3.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.372 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.492 HH12 HG12 ' A' ' 32' ' ' VAL . 39.1 ptt85 -155.65 144.69 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 111.217 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.1 t -92.72 143.04 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.972 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.669 HG23 ' HG2' ' A' ' 33' ' ' LYS . 31.6 m -101.61 -40.69 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.725 0.298 . . . . 0.0 111.701 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.669 ' HG2' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -169.7 53.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.155 0.503 . . . . 0.0 110.374 -179.632 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 -25.38 28.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.885 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.501 ' HB3' ' H ' ' A' ' 36' ' ' VAL . 94.2 mttt -74.99 -155.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 111.04 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 38.9 t -145.57 145.71 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.01 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.862 ' HG2' ' HB3' ' A' ' 52' ' ' TRP . 27.7 tt0 -151.33 127.0 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.249 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.537 ' HB2' HD11 ' A' ' 58' ' ' LEU . 12.5 m-85 -119.58 144.09 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 111.891 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 40' ' ' LEU . 14.1 tp -88.07 145.55 25.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.36 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.066 HD23 HG11 ' A' ' 23' ' ' VAL . 5.3 mp -140.92 135.47 31.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.034 0.445 . . . . 0.0 111.606 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -81.29 67.03 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.043 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.689 ' HE1' ' H ' ' A' ' 51' ' ' THR . 19.7 m95 -47.88 133.9 13.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.79 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HD3' ' HB ' ' A' ' 22' ' ' VAL . 22.2 pttp -58.08 140.26 52.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.299 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.57 -36.33 1.6 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.608 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.524 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 1.3 m-85 -74.18 128.71 36.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 m -69.76 -166.45 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.279 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.6 m-20 -65.28 -51.99 57.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.36 -38.47 87.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.47 -34.85 64.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.451 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.632 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 80.4 m-20 -51.08 142.13 12.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 111.368 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.689 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.3 t -137.58 131.39 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.763 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.862 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 5.9 m95 -72.67 142.63 48.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.387 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.676 ' HB2' HD21 ' A' ' 58' ' ' LEU . 52.6 mm-40 -135.32 139.78 32.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.54 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 8.5 Cg_endo -50.2 131.57 31.48 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.47 2.113 . . . . 0.0 111.81 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 17.6 tp10 -50.65 -28.61 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.492 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.09 -50.95 67.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.453 ' OD1' ' HG2' ' A' ' 54' ' ' PRO . 33.9 m120 -71.35 -36.69 71.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 111.324 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 53' ' ' GLU . 16.5 mt -52.08 139.13 23.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.264 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.689 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -130.72 54.5 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' B' ' 5' ' ' GLN . 64.1 m -142.43 57.89 6.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.892 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.6 Cg_exo -52.71 -38.58 77.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.516 2.144 . . . . 0.0 111.978 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.531 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 64.7 t0 -60.87 -45.36 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.593 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 53.0 mt -63.67 -39.92 95.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.383 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.601 ' O ' HD23 ' A' ' 68' ' ' LEU . 47.2 mm -55.38 -51.46 56.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -57.26 -39.75 76.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.364 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 97.3 mt-10 -56.79 -41.85 78.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.67 ' CD2' HD22 ' A' ' 68' ' ' LEU . 15.6 t80 -62.97 -52.64 62.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.526 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 67' ' ' PHE . 3.4 mm? -56.31 -33.46 65.59 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 36.3 mt-30 -50.47 -37.1 36.7 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.4 t -58.63 -49.18 78.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 73.4 mt-30 -88.94 47.67 1.53 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.403 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -156.51 133.23 10.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.891 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 73' ' ' THR . 20.3 m 56.31 15.94 2.16 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.839 0.828 . . . . 0.0 109.258 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 75' ' ' HIS . . . 171.67 54.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.325 -1.307 . . . . 0.0 108.633 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 1.8 m-70 -56.11 -140.51 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.9 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -63.14 136.77 57.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.067 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.0 t -173.62 30.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -88.26 -54.19 4.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.645 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -75.09 135.73 41.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.737 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.936 0.398 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.422 HH11 ' HG3' ' B' ' 2' ' ' ARG . 32.0 ptt85 -173.43 43.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.828 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 67.8 p -60.71 -45.05 95.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.43 HH23 HG11 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.518 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER 65.36 130.99 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.809 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.526 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 40.0 p -153.39 115.44 4.33 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.738 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.689 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -71.29 -7.29 46.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.455 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.887 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 88.4 mtm180 65.82 -110.76 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.495 ' HG2' ' N ' ' B' ' 10' ' ' SER . . . . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.977 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.495 ' N ' ' HG2' ' B' ' 9' ' ' MLY . 95.4 p -169.58 55.09 0.04 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.766 0.317 . . . . 0.0 110.328 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p 54.32 44.17 29.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.127 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.89 123.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.911 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.28 -46.66 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.288 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.81 -142.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.651 0.263 . . . . 0.0 111.129 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.5 136.93 0.71 Allowed Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.86 -45.91 18.47 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.47 2.113 . . . . 0.0 112.331 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.54 -43.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.375 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.745 0.307 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.443 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 10.6 mmt -62.76 131.38 48.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.94 129.82 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.403 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HB2' ' H ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -78.49 -138.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.256 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 36.3 tt0 59.18 -118.17 0.92 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.668 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 12' ' ' GLU . 45.0 t -57.62 129.67 19.76 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 CA-C-O 120.816 0.341 . . . . 0.0 111.179 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.935 ' H ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -84.15 -169.77 2.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.985 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.73 ' HG3' HD23 ' A' ' 14' ' ' LEU . 56.4 mt-10 47.59 -146.76 0.23 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 50.9 52.1 15.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -164.72 -140.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -58.98 125.76 24.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 111.0 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 39.3 tt0 -94.01 140.36 29.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.232 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.716 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 92.8 mt-10 -74.2 131.2 41.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.944 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.426 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.7 m-85 -117.66 143.23 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.639 HG22 ' HD2' ' B' ' 4' ' ' MLY . 92.3 t -55.35 135.03 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.84 HG22 ' HZ3' ' A' ' 42' ' ' TRP . 10.6 t -117.9 135.43 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.568 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -86.74 -74.99 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -158.3 135.91 10.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.152 0.501 . . . . 0.0 111.368 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.556 HG23 HD21 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -60.7 134.65 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.803 HD12 ' HG ' ' A' ' 39' ' ' LEU . 89.8 mt -97.03 -40.33 8.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -174.72 -144.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.415 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . 15.7 ptm180 -168.95 147.22 3.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.62 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.563 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 16.4 ptm180 -155.12 138.81 16.1 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.59 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 35' ' ' LYS . 58.3 t -88.19 138.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.9 t -88.1 -50.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.841 0.353 . . . . 0.0 111.521 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -171.08 42.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.955 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.63 -31.19 4.45 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.179 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 31' ' ' VAL . 56.5 mtpt -78.6 -151.57 0.05 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.094 0.473 . . . . 0.0 110.653 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 7.5 p -166.8 136.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -145.1 127.98 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.792 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 29' ' ' ARG . 5.5 m-85 -98.62 143.47 28.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.33 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 50' ' ' ASN . 24.9 tp -82.75 140.08 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.86 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 26' ' ' VAL . 4.7 mp -154.98 135.73 13.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.886 0.374 . . . . 0.0 111.819 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.831 ' HE2' ' HA ' ' A' ' 47' ' ' ASP . 27.7 tptp -77.01 127.62 33.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.616 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.84 ' HZ3' HG22 ' A' ' 23' ' ' VAL . 30.7 m95 -106.41 129.86 54.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.111 0.481 . . . . 0.0 111.507 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -56.7 144.0 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.728 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.66 -47.64 3.69 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.938 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.451 ' HD1' ' H ' ' A' ' 45' ' ' PHE . 1.5 m-85 -67.63 145.82 54.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.803 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.636 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 50.1 m -49.1 151.35 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.831 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 11.8 p-10 -55.64 -55.49 31.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.194 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.609 ' OE2' ' HB3' ' A' ' 46' ' ' SER . 1.2 pm0 -68.12 -11.09 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.629 0.252 . . . . 0.0 111.071 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.636 ' HB2' ' HB2' ' A' ' 46' ' ' SER . 31.8 t70 -75.38 24.8 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.244 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.834 ' HB3' HD11 ' A' ' 39' ' ' LEU . 68.4 m-20 -63.5 139.1 58.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.718 0.294 . . . . 0.0 110.449 179.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.454 HG22 ' OE2' ' A' ' 53' ' ' GLU . 85.2 m -136.24 126.87 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.262 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.578 ' NE1' HD13 ' A' ' 39' ' ' LEU . 9.0 m95 -76.43 131.87 39.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.596 ' HB2' HD21 ' A' ' 58' ' ' LEU . 50.7 mm-40 -111.95 147.01 35.97 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.4 Cg_exo -59.7 136.36 70.12 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.059 1.839 . . . . 0.0 111.214 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -51.33 -42.77 61.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.389 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 15.3 pt-20 -61.6 -43.15 99.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.456 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 2.6 m120 -61.28 -35.49 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' ' 53' ' ' GLU . 20.3 mt -55.49 146.11 21.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.368 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.519 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -139.69 52.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 25.2 p -165.7 60.62 0.67 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.675 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.576 ' HA ' HD12 ' A' ' 64' ' ' ILE . 76.5 Cg_exo -50.55 -26.16 16.09 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.751 2.301 . . . . 0.0 112.587 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' HB3' ' NE2' ' B' ' 5' ' ' GLN . 8.3 t70 -51.16 -43.5 61.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.075 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.518 HD21 ' OE1' ' B' ' 5' ' ' GLN . 76.7 mt -67.7 -40.77 84.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.897 0.38 . . . . 0.0 110.046 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 61' ' ' PRO . 67.6 mt -55.36 -43.54 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -63.01 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.898 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.536 ' HA ' ' OE1' ' A' ' 69' ' ' GLN . 39.3 tt0 -56.43 -36.62 69.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.321 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.487 ' HB3' ' O ' ' A' ' 64' ' ' ILE . 19.0 t80 -59.68 -56.33 23.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.383 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.5 mp -63.94 -28.74 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.045 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 84.9 mt-30 -48.82 -43.48 38.42 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.219 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.6 m -66.04 -46.05 79.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.929 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -83.23 48.77 1.43 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.829 ' HA ' ' HB2' ' A' ' 75' ' ' HIS . 63.0 tttp -115.67 -43.3 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.0 t -53.11 -31.71 43.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.416 0.627 . . . . 0.0 109.41 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 76' ' ' GLU . . . -133.45 39.03 3.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.101 178.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.829 ' HB2' ' HA ' ' A' ' 72' ' ' LYS . 76.1 t60 -54.54 -37.31 65.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.465 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 74' ' ' ALA . 95.5 mt-10 67.79 134.24 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.238 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.8 p -66.18 -46.38 77.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.601 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -58.98 136.95 58.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 111.281 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.7 -47.92 81.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.979 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.693 HH21 ' HG2' ' B' ' 5' ' ' GLN . 79.6 mtp180 -62.83 129.31 39.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.457 ' OG1' ' HD3' ' B' ' 4' ' ' MLY . 77.3 p -73.25 -57.39 4.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.639 ' HD2' HG22 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--O 1.233 0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.654 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.693 ' HG2' HH21 ' B' ' 2' ' ' ARG . 69.7 mt-30 67.14 134.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.686 ' HA ' HG23 ' A' ' 23' ' ' VAL . 68.3 p -143.86 140.34 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.608 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.579 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -123.23 27.96 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.716 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 72.3 mtt-85 47.89 -143.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.256 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.518 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.23 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 86.8 p -53.92 122.49 10.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 47.7 p -151.21 -59.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.435 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.09 -122.65 12.35 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.673 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' B' ' 16' ' ' PRO . . . -164.28 134.23 3.29 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.271 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' B' ' 14' ' ' LYS . 12.7 mptt -59.95 137.68 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 111.094 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.501 ' N ' ' HD3' ' B' ' 16' ' ' PRO . . . 60.95 60.06 3.36 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.533 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' B' ' 15' ' ' ALA . 5.0 Cg_exo -76.17 40.43 0.75 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.894 2.396 . . . . 0.0 112.42 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.49 -136.53 0.07 OUTLIER Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.716 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.554 -179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.852 0.358 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 ptp -69.45 -142.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 10' ' ' VAL . 12.8 p -80.58 42.64 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-O 121.227 0.537 . . . . 0.0 111.282 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -70.25 128.69 37.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -83.17 -150.57 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.041 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 13' ' ' VAL . 20.0 t -84.67 53.88 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-O 121.071 0.462 . . . . 0.0 110.816 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.9 mt -78.58 45.48 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.289 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -59.88 -36.85 77.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.781 0.324 . . . . 0.0 110.932 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 50.2 mt-10 62.53 39.92 11.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 16' ' ' GLU . 44.2 tp10 72.95 -46.28 0.64 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.731 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.671 ' HB3' ' HD2' ' B' ' 8' ' ' ARG . 50.3 mt-10 -64.3 121.06 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 39.2 tt0 -116.15 142.34 46.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.005 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.89 73.87 2.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 7.0 m-85 -60.44 136.29 58.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.354 . . . . 0.0 110.961 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.452 HG22 ' HD2' ' B' ' 4' ' ' MLY . 62.0 t -62.28 136.52 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.881 HG11 HD23 ' A' ' 40' ' ' LEU . 19.1 t -127.5 129.72 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.16 -53.23 13.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -177.87 136.38 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.8 130.34 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.866 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 86.5 mt -81.99 -49.24 10.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.362 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.87 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 2.1 m-20 -146.05 -158.42 0.9 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HG2' ' HE2' ' A' ' 67' ' ' PHE . 36.6 ptt85 -169.02 134.31 1.58 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.46 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 39.8 ptt180 -157.01 141.88 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.853 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 36' ' ' VAL . 94.0 t -100.92 139.61 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.73 -80.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.323 . . . . 0.0 110.754 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.592 ' NZ ' ' HB3' ' A' ' 33' ' ' LYS . 5.2 mtpm? -85.37 42.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.763 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.5 -24.16 5.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.399 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -75.25 142.62 43.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.991 0.424 . . . . 0.0 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' A' ' 31' ' ' VAL . 4.8 t -98.89 83.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.48 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.38 127.01 35.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.208 0.527 . . . . 0.0 111.145 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.615 ' HB2' HD11 ' A' ' 58' ' ' LEU . 7.6 m-85 -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.225 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.87 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 14.4 tp -85.05 136.15 33.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.646 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.881 HD23 HG11 ' A' ' 23' ' ' VAL . 4.6 mp -151.07 140.97 21.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.752 0.311 . . . . 0.0 111.484 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -83.18 140.29 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 7.1 m95 -119.52 134.39 55.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.05 0.452 . . . . 0.0 111.134 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -58.52 147.99 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.84 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.95 -49.74 3.78 Favored Glycine 0 C--N 1.331 0.298 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.77 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -71.78 140.32 49.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -51.54 146.79 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.61 -41.43 73.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.983 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -62.93 -21.02 65.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.38 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.63 43.17 0.24 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.777 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.641 ' HB3' HD11 ' A' ' 39' ' ' LEU . 86.1 m-20 -57.37 142.61 43.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.732 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.468 HG22 ' OE1' ' A' ' 53' ' ' GLU . 89.2 m -145.66 116.16 7.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.569 ' CZ2' HD22 ' A' ' 39' ' ' LEU . 8.7 m95 -85.45 117.66 24.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.262 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.629 ' HB2' HD21 ' A' ' 58' ' ' LEU . 3.1 mm-40 -107.55 142.04 24.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.52 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 5.8 Cg_endo -49.56 133.1 31.55 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 16.5 tp10 -56.84 -33.69 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.901 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.56 -48.29 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.575 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -72.34 -36.0 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.811 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 53' ' ' GLU . 25.5 mt -48.79 140.36 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.616 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -132.83 48.75 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.002 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.847 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 70.1 m -126.44 64.19 54.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.03 -44.53 48.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.461 2.108 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 61.7 m-20 -67.18 -44.45 79.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.573 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.584 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 52.5 mt -62.37 -43.85 97.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.655 0.264 . . . . 0.0 111.009 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.691 ' O ' HD13 ' A' ' 68' ' ' LEU . 87.3 mt -55.13 -47.82 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.231 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -59.55 -35.49 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.119 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 52.7 mt-10 -62.44 -41.13 98.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.376 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 9.8 t80 -71.46 -51.42 23.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.146 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 64' ' ' ILE . 5.5 mp -65.33 -21.4 66.7 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.214 0.531 . . . . 0.0 109.893 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 51.0 tp60 -49.31 -41.99 40.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.746 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.2 m -62.18 -44.97 95.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.612 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.703 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -71.12 -124.17 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.88 178.798 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HG2' ' H ' ' A' ' 73' ' ' THR . 51.6 tttp 59.18 -133.34 0.95 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.545 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 86.1 m -64.72 -52.5 56.77 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.869 0.366 . . . . 0.0 110.609 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.18 41.26 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -68.33 -135.98 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.262 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 62.37 44.6 7.21 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.825 0.345 . . . . 0.0 111.319 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -66.02 136.5 56.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.07 127.56 32.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.921 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -83.71 45.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.753 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.806 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.51 -140.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 81.0 p -65.65 128.25 35.2 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.552 ' HG3' HG23 ' B' ' 6' ' ' THR . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.847 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 2.9 mm-40 -99.08 -43.58 6.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.78 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.552 HG23 ' HG3' ' B' ' 4' ' ' MLY . 17.7 p 63.32 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.288 0.566 . . . . 0.0 112.036 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -144.66 116.56 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.997 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.671 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 84.6 mtm180 -59.82 110.9 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.623 ' HG2' ' HA3' ' B' ' 13' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.381 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.4 m 62.37 -158.3 0.33 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.267 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.3 p -80.8 125.51 30.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.671 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.661 ' HA3' ' NZ ' ' B' ' 14' ' ' LYS . . . 74.66 -54.72 2.5 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 113.263 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.623 ' HA3' ' HG2' ' B' ' 9' ' ' MLY . . . 62.95 52.37 48.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.718 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.661 ' NZ ' ' HA3' ' B' ' 12' ' ' GLY . 0.0 OUTLIER -159.44 33.89 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.941 0.4 . . . . 0.0 110.841 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.61 57.43 8.81 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.562 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.47 ' HB2' ' H ' ' B' ' 17' ' ' GLY . 45.9 Cg_endo -67.43 -142.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.409 2.073 . . . . 0.0 112.254 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.47 ' H ' ' HB2' ' B' ' 16' ' ' PRO . . . 176.88 -135.11 2.72 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.559 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.296 -1.28 . . . . 0.0 112.483 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.847 0.356 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.8 tpp -171.64 -47.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 11' ' ' GLU . 7.7 p -175.52 -46.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.848 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 10' ' ' VAL . 11.6 pt-20 36.17 -137.17 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.812 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 43.8 tt0 -166.49 141.15 4.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.325 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.81 109.42 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.414 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 1.3 pp 177.19 36.26 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.707 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.768 ' HG2' ' HG3' ' A' ' 16' ' ' GLU . 44.6 tt0 -62.94 138.96 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.498 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.768 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 49.2 mt-10 74.07 -51.09 0.69 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.961 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' GLU . 93.7 mt-10 73.51 -53.96 0.69 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 122.718 0.407 . . . . 0.0 111.417 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.739 ' HB3' ' HB3' ' B' ' 8' ' ' ARG . 89.1 mt-10 -65.89 125.52 25.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.648 0.261 . . . . 0.0 110.706 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 42.5 tp10 -84.56 136.01 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.293 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -78.45 77.98 4.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.434 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.623 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 5.5 m-85 -61.04 141.66 57.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.73 HG11 HH12 ' B' ' 4' ' ' MLY . 46.6 t -56.12 -43.47 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.757 HG21 ' HB3' ' B' ' 7' ' ' ALA . 21.8 t 67.1 143.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 111.031 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HG2' ' HG2' ' A' ' 25' ' ' LYS . 38.7 tt0 -95.21 -52.59 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.604 ' HA ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -173.43 149.38 1.7 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.524 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HA ' ' HG ' ' A' ' 40' ' ' LEU . 1.2 t -72.1 144.1 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.601 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.678 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.1 mm? -108.72 -39.67 5.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.522 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 36.9 t0 -171.28 -146.31 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.403 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.511 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 32.2 ptt85 -168.79 141.34 2.77 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 2.8 ptm85 -155.58 137.04 14.07 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -95.88 132.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.256 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.757 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -94.07 -30.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.096 0.474 . . . . 0.0 111.222 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.757 ' HG2' HG23 ' A' ' 32' ' ' VAL . 60.0 pttt -159.9 -31.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.74 -22.53 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.917 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.601 ' HG2' HG22 ' A' ' 32' ' ' VAL . 21.8 ptmt -76.59 159.45 30.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.588 HG12 ' HE1' ' A' ' 38' ' ' TYR . 1.9 t -115.94 81.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -87.46 127.54 35.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.315 0.578 . . . . 0.0 111.381 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.588 ' HE1' HG12 ' A' ' 36' ' ' VAL . 8.1 m-85 -106.44 143.71 34.16 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.811 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.907 HD11 ' HB3' ' A' ' 50' ' ' ASN . 19.3 tp -83.19 140.64 32.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.52 ' CD2' HG11 ' A' ' 23' ' ' VAL . 4.9 mp -152.16 133.62 14.56 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.414 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.593 ' NZ ' ' HB2' ' A' ' 41' ' ' LYS . 4.9 ttmp? -74.85 134.02 41.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.536 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 33.8 m95 -107.59 134.39 50.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.478 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -62.55 145.4 54.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.86 -51.24 4.28 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' N ' ' CD1' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -70.89 139.77 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.67 0.271 . . . . 0.0 110.437 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -52.72 144.44 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -55.03 -34.19 63.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -63.64 -27.78 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.807 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -76.5 43.94 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.599 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.907 ' HB3' HD11 ' A' ' 39' ' ' LEU . 80.0 m-20 -60.72 143.68 53.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.652 0.263 . . . . 0.0 110.584 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -145.78 121.47 10.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.984 0.421 . . . . 0.0 111.565 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.521 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.8 m95 -83.84 154.52 23.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.132 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.71 ' HG3' HD21 ' A' ' 58' ' ' LEU . 16.2 pt-20 -149.05 138.8 12.88 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.444 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.709 ' O ' HD23 ' A' ' 58' ' ' LEU . 17.7 Cg_endo -57.89 126.85 22.98 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.539 2.159 . . . . 0.0 112.107 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 5.0 tm-20 -41.46 -34.15 0.51 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.74 -50.72 43.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.471 ' OD1' ' HG2' ' A' ' 54' ' ' PRO . 34.3 m120 -72.82 -30.75 64.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.727 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.71 HD21 ' HG3' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -44.38 132.12 6.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.71 -179.283 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -122.31 41.83 3.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.846 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.891 ' HB2' HD13 ' A' ' 63' ' ' LEU . 25.7 p -155.7 59.05 2.0 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.549 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.3 -29.46 30.11 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.904 2.403 . . . . 0.0 112.184 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -56.0 -39.94 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.891 HD13 ' HB2' ' A' ' 60' ' ' CYS . 7.4 mp -70.35 -42.34 71.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.774 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 64' ' ' ILE . 2.1 mp -59.57 -44.05 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.66 -43.95 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -56.44 -39.58 73.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.846 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.14 -32.73 72.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.908 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 36.6 mt-30 -53.39 -43.04 67.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.255 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.7 m -60.42 -32.9 71.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.759 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -76.86 39.69 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.013 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.697 ' HA ' ' HB2' ' A' ' 75' ' ' HIS . 75.8 mmtt -143.57 -43.6 0.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.955 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 t -51.33 -26.51 7.67 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.681 0.753 . . . . 0.0 109.295 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.74 43.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.64 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.697 ' HB2' ' HA ' ' A' ' 72' ' ' LYS . 0.9 OUTLIER -46.58 125.88 7.61 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.992 -178.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.578 ' HG2' ' H ' ' A' ' 77' ' ' THR . 28.0 tt0 53.26 -134.75 1.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.079 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.578 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 86.1 m -76.94 126.2 30.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.655 0.264 . . . . 0.0 110.884 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -179.3 134.3 0.12 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp 64.0 135.81 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.433 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.934 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.701 0.286 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.453 ' HG3' ' H ' ' B' ' 3' ' ' THR . 25.4 tpt85 59.55 -122.6 1.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.453 ' H ' ' HG3' ' B' ' 2' ' ' ARG . 61.8 p 49.99 -146.81 0.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.554 0.216 . . . . 0.0 111.486 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.73 HH12 HG11 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.068 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.507 HE21 ' HA ' ' B' ' 5' ' ' GLN . 1.8 mm-40 -56.89 151.06 15.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 22' ' ' VAL . 61.0 p -147.36 179.87 7.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 111.536 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.757 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -177.1 122.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.921 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.739 ' HB3' ' HB3' ' A' ' 18' ' ' GLU . 80.4 mtm180 -80.95 138.21 36.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.155 -178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.259 178.729 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.444 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 79.9 p -57.78 102.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.76 0.314 . . . . 0.0 110.43 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.9 m 57.71 53.51 7.1 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.056 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.711 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -57.53 136.09 51.04 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.257 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.79 52.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.801 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -78.27 50.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 134.91 78.76 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.347 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.45 144.09 84.25 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.677 2.251 . . . . 0.0 112.11 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.87 45.78 2.27 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.894 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.515 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.408 ' O ' ' HG2' ' A' ' 9' ' ' MET . 27.1 ttt -165.16 43.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.184 0.516 . . . . 0.0 110.545 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.08 -38.22 82.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.012 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -168.32 -51.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.649 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -69.72 136.17 50.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 13' ' ' VAL . 11.4 p -80.03 34.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.289 0.566 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HB3' ' H ' ' A' ' 15' ' ' GLU . 98.6 mt 47.0 -154.53 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.627 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' H ' ' HB3' ' A' ' 14' ' ' LEU . 59.2 mm-40 55.77 27.23 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.522 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 35.53 -139.22 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.605 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -174.42 135.33 0.43 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 110.976 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.666 ' HB3' ' HD3' ' B' ' 8' ' ' ARG . 56.7 mt-10 -148.95 133.59 17.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.456 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' B' ' 8' ' ' ARG . 84.5 tt0 -159.89 138.72 10.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.703 0.287 . . . . 0.0 111.331 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.761 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 45.4 mt-10 -76.11 134.04 40.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -112.24 140.27 47.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.46 140.37 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.619 ' CG1' HD22 ' A' ' 40' ' ' LEU . 58.8 t -127.37 132.55 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 111.765 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.77 -50.73 7.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.398 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -179.53 138.78 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.0 HG12 HD21 ' A' ' 40' ' ' LEU . 3.1 m -63.9 133.2 29.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD12 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -86.79 -35.91 18.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CH2' ' A' ' 52' ' ' TRP . 35.0 t70 -166.01 145.17 6.06 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -101.87 135.82 42.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -154.32 132.82 12.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 35' ' ' LYS . 38.7 t -90.69 144.17 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.42 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.87 HG22 ' HG3' ' A' ' 33' ' ' LYS . 2.8 p -149.92 124.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.879 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.87 ' HG3' HG22 ' A' ' 32' ' ' VAL . 43.6 mtmt 62.48 37.01 13.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.094 -178.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.17 -19.08 3.04 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.712 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' O ' HG13 ' A' ' 31' ' ' VAL . 88.2 mttt -69.08 -150.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.35 0.595 . . . . 0.0 110.958 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.8 p -169.52 133.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.418 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -141.17 139.05 33.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.44 ' CE2' HG23 ' A' ' 64' ' ' ILE . 9.8 m-85 -116.61 129.08 55.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.468 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' ' 50' ' ' ASN . 22.7 tp -62.3 147.38 48.35 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.0 HD21 HG12 ' A' ' 26' ' ' VAL . 95.7 mt -145.25 129.31 17.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -177.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.22 111.95 18.1 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.704 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CG ' HH11 ' B' ' 9' ' ' MLY . 44.6 m95 -90.4 130.29 36.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.323 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.59 142.11 57.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.77 -41.46 2.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.959 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -68.69 136.44 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.678 0.275 . . . . 0.0 110.677 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.53 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.3 m -58.33 146.03 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.2 -40.57 61.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.67 -31.5 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.53 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.16 40.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.696 ' HB3' HD11 ' A' ' 39' ' ' LEU . 81.5 m-20 -67.21 141.86 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.603 0.24 . . . . 0.0 110.431 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -140.86 128.07 20.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 111.408 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.592 ' NE1' HD13 ' A' ' 39' ' ' LEU . 19.9 m95 -92.39 150.49 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.472 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.852 ' HG2' HD11 ' A' ' 58' ' ' LEU . 1.3 pm0 -151.4 146.1 18.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.397 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.884 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 31.0 Cg_endo -61.8 120.56 8.23 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.638 2.225 . . . . 0.0 111.911 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 38.4 tt0 -43.32 -29.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.84 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.884 ' HG2' ' HB2' ' A' ' 54' ' ' PRO . 16.1 pt-20 -46.3 -46.2 17.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.996 0.427 . . . . 0.0 110.202 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -76.14 -37.21 58.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.852 HD11 ' HG2' ' A' ' 53' ' ' GLU . 6.6 mp -54.85 138.11 43.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -130.92 56.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 26.7 p -145.46 56.59 3.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.229 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 49.9 Cg_exo -55.84 -34.77 92.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.519 2.146 . . . . 0.0 112.424 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.656 ' H ' HE22 ' B' ' 5' ' ' GLN . 34.5 t70 -56.89 -50.28 72.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HG ' ' OE1' ' B' ' 5' ' ' GLN . 30.8 mt -66.75 -41.01 88.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.131 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 84.9 mt -54.03 -42.05 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.251 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.09 -42.42 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -55.85 -42.08 75.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -67.33 -47.16 71.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.183 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 78.7 mt -61.56 -25.11 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.916 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 48.4 mm-40 -46.84 -43.17 18.32 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.627 0.251 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 m -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.119 0.485 . . . . 0.0 109.932 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -78.3 -115.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.308 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.542 ' HE3' ' HB3' ' A' ' 68' ' ' LEU . 32.6 mmtp 57.89 -149.6 0.46 Allowed 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 116.823 -0.172 . . . . 0.0 111.058 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.3 p -55.11 -46.44 75.55 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.072 0.463 . . . . 0.0 110.625 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.28 60.01 5.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.332 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -43.64 139.58 2.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.38 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 77' ' ' THR . 4.6 tp10 -169.84 -127.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.031 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.472 ' H ' ' HG3' ' A' ' 76' ' ' GLU . 86.4 m 64.4 129.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.065 0.46 . . . . 0.0 111.326 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -71.73 135.67 46.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.985 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt 58.17 55.53 5.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.893 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.421 0.153 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.539 ' H ' ' HD2' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -55.75 -36.63 67.49 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.729 0.3 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -78.46 47.09 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.586 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.089 179.771 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.656 HE22 ' H ' ' A' ' 62' ' ' ASP . 79.2 mt-30 54.5 -164.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.432 HG23 ' O ' ' B' ' 5' ' ' GLN . 18.6 p -158.84 -174.59 4.84 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.197 0.523 . . . . 0.0 111.573 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -174.19 115.54 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.62 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.761 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 19.2 ttm105 -64.98 130.21 42.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.863 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.443 HH11 ' CG ' ' A' ' 42' ' ' TRP . . . . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.225 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.504 ' OG ' ' HD2' ' A' ' 54' ' ' PRO . 50.3 m -62.94 122.1 15.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.43 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -162.53 -55.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.83 122.25 29.36 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.093 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.02 147.88 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -51.67 137.11 25.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.689 0.28 . . . . 0.0 110.799 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . -56.16 129.11 73.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.337 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 36.7 Cg_exo -60.42 134.32 54.39 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.573 2.182 . . . . 0.0 112.232 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.22 -133.61 48.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.512 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.711 0.291 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.96 -45.72 92.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.4 m -149.13 136.91 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.655 ' HG3' ' HG2' ' A' ' 12' ' ' GLU . 43.4 tp10 -171.79 141.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.786 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.655 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 61.4 mm-40 75.19 -48.99 0.64 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.387 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -66.3 129.63 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.761 HD12 ' HG2' ' A' ' 15' ' ' GLU . 1.1 pp -176.23 39.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.761 ' HG2' HD12 ' A' ' 14' ' ' LEU . 58.0 mm-40 -147.9 -143.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.727 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 11.2 pt-20 -173.66 48.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.967 0.413 . . . . 0.0 110.595 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -56.1 -47.1 78.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.799 ' HB2' ' HD3' ' B' ' 8' ' ' ARG . 10.9 pt-20 34.25 51.8 0.46 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.277 0.56 . . . . 0.0 111.934 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -60.75 143.36 54.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.851 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -79.99 123.92 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.8 m-85 -100.3 146.78 26.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.78 -44.85 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 21' ' ' TYR . 21.4 t 66.97 141.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.418 . . . . 0.0 111.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.698 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 14.6 tp10 -85.22 -61.11 1.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.952 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HA ' HD23 ' A' ' 63' ' ' LEU . 27.1 tptp -179.19 139.86 0.15 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 111.709 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -58.61 135.57 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.789 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.781 HD23 ' HG ' ' A' ' 39' ' ' LEU . 2.5 mm? -100.93 -36.45 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 18.1 t70 -172.33 -150.62 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.512 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.553 ' HG2' HH11 ' A' ' 29' ' ' ARG . 20.5 ptt-85 -168.58 142.69 3.19 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.1 ptt180 -155.51 134.33 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.162 0.506 . . . . 0.0 112.195 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 35' ' ' LYS . 46.1 t -79.01 151.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.734 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.78 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -135.1 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.901 0.382 . . . . 0.0 111.249 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.78 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.3 ptmt -163.12 53.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.09 -29.98 4.51 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.46 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.572 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -78.29 -151.82 0.05 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' A' ' 55' ' ' GLU . 7.5 p -167.04 127.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.309 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.544 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -114.3 129.68 56.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.538 ' O ' HD12 ' A' ' 40' ' ' LEU . 8.7 m-85 -102.14 138.77 38.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.479 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.937 HD11 ' HB3' ' A' ' 50' ' ' ASN . 22.1 tp -80.68 137.46 36.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 38' ' ' TYR . 4.5 mp -151.74 129.6 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 111.707 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.698 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 85.5 tttt -72.16 138.16 47.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.498 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.542 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 62.9 m95 -111.31 133.17 53.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.118 0.485 . . . . 0.0 111.53 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.04 143.42 55.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.24 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.4 -46.24 2.99 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.207 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.74 139.07 53.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.638 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 48' ' ' GLU . 46.7 t -52.01 146.22 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.17 -43.0 63.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 24.6 pt-20 -61.5 -29.24 69.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.033 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -74.07 36.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.937 ' HB3' HD11 ' A' ' 39' ' ' LEU . 68.4 m-20 -69.48 141.89 53.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.287 . . . . 0.0 110.39 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -135.49 126.86 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.59 ' NE1' HD13 ' A' ' 39' ' ' LEU . 13.3 m95 -81.55 124.72 29.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 59.7 mm-40 -89.58 143.23 30.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.052 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 57' ' ' ASN . 6.4 Cg_exo -73.0 45.3 0.9 Allowed 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.152 2.568 . . . . 0.0 113.407 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.2 tt0 58.29 -73.73 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 54' ' ' PRO . 55.0 mt-10 -49.25 -38.68 27.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' O ' ' HB3' ' B' ' 8' ' ' ARG . 3.5 m120 -58.47 -58.42 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 3.3 pp -59.31 179.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 111.75 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.814 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 35.0 t70 -156.98 44.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.253 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.871 ' HB3' HD13 ' A' ' 63' ' ' LEU . 75.2 m -120.72 69.88 17.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.949 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.81 -38.16 96.41 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.906 2.404 . . . . 0.0 112.385 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -62.6 -40.58 97.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 60' ' ' CYS . 7.8 mp -68.47 -45.38 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.925 0.393 . . . . 0.0 110.659 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.425 HG23 ' CE2' ' A' ' 38' ' ' TYR . 79.4 mt -59.47 -42.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -70.18 -41.02 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.152 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.27 -38.03 79.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.048 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 16.6 t80 -60.8 -48.99 79.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.363 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.94 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.39 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 72.3 mt-30 -58.76 -39.54 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.8 t -57.22 -51.7 68.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -73.83 -110.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.146 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.603 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 5.4 ttpm? 66.58 55.46 0.8 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.629 0.252 . . . . 0.0 110.564 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t 39.61 38.71 0.44 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.363 0.602 . . . . 0.0 110.785 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.49 54.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.159 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -46.85 135.34 9.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.033 -179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.17 134.21 56.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 74.9 p -60.88 137.33 58.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.312 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 1.5 m-20 74.14 -52.53 0.69 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.581 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 78' ' ' ASP . 63.6 tttm 73.88 -40.78 0.47 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.397 0.436 . . . . 0.0 111.534 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.343 -0.837 . . . . 0.0 111.005 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.537 ' HB1' HG23 ' B' ' 3' ' ' THR . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' B' ' 2' ' ' ARG . 75.7 ttt180 57.46 35.99 26.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.195 0.521 . . . . 0.0 110.428 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.537 HG23 ' HB1' ' B' ' 1' ' ' ALA . 73.7 p -83.48 -148.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.848 HH12 ' HG2' ' B' ' 4' ' ' MLY . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.738 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 66.06 117.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.633 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.686 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 52.4 p -154.38 125.29 7.18 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.594 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.814 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -80.08 -131.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.799 ' HD3' ' HB2' ' A' ' 18' ' ' GLU . 39.8 ttm180 179.8 135.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.745 0.307 . . . . 0.0 110.74 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.088 -179.715 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.5 m -77.5 52.84 1.0 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.1 p 52.76 50.2 18.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.35 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.26 137.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.97 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.43 -150.76 46.94 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.936 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -86.48 -50.0 7.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.76 0.314 . . . . 0.0 111.198 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . -172.28 143.75 1.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.975 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 24.0 Cg_exo -63.83 -141.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.02 135.52 46.12 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.443 -1.199 . . . . 0.0 112.545 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.3 m170 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.693 0.282 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.4 tpp 64.08 137.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.48 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 m -61.24 144.47 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.252 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -139.17 -44.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -60.4 138.94 57.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.809 HG12 HD23 ' A' ' 14' ' ' LEU . 41.6 t 65.5 121.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.973 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.809 HD23 HG12 ' A' ' 13' ' ' VAL . 4.5 mm? 61.45 118.92 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.36 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HG3' HG21 ' B' ' 11' ' ' THR . 23.1 pt-20 -179.6 37.85 0.0 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.773 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 62.8 123.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.452 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -79.97 133.45 36.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.902 ' HG2' ' HB ' ' B' ' 11' ' ' THR . 4.7 mm-40 -74.96 131.59 40.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.908 0.385 . . . . 0.0 111.593 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.579 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 89.1 tt0 -75.49 146.95 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.393 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 8.7 mp0 -68.27 76.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.466 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.6 m-85 -61.23 135.3 57.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.192 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.659 ' HA ' HG22 ' B' ' 6' ' ' THR . 21.4 t -67.45 137.47 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.33 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.616 HG21 HD22 ' A' ' 40' ' ' LEU . 6.8 p -129.07 134.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.604 ' HG2' ' HG3' ' A' ' 25' ' ' LYS . 44.1 tt0 -67.25 -69.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.657 ' HA ' HD22 ' A' ' 63' ' ' LEU . 67.3 mttm -154.05 143.7 21.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.167 0.508 . . . . 0.0 111.949 -178.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.738 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -60.01 131.85 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.564 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.798 HD12 ' HG ' ' A' ' 39' ' ' LEU . 94.6 mt -92.94 -43.02 9.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 41.4 m-20 -164.46 -153.55 0.21 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 112.014 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 40.1 ptt180 -168.93 139.06 2.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.635 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.89 129.18 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.078 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 36' ' ' VAL . 41.3 t -89.12 140.8 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 110.983 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.775 HG22 ' HG3' ' A' ' 33' ' ' LYS . 7.4 p -153.99 131.96 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.882 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.775 ' HG3' HG22 ' A' ' 32' ' ' VAL . 57.2 mttp 75.62 -37.31 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.625 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 154.23 -21.65 0.66 Allowed Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.698 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.897 ' H ' ' HD2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -100.94 139.37 36.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.042 0.448 . . . . 0.0 111.758 -179.071 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.66 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 2.8 t -80.8 141.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.401 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 11.6 pt-20 -139.08 127.18 22.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 110.83 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 29' ' ' ARG . 6.5 m-85 -105.34 129.5 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.63 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.798 ' HG ' HD12 ' A' ' 27' ' ' LEU . 27.0 tp -64.88 143.68 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.738 HD23 ' HA ' ' A' ' 26' ' ' VAL . 74.3 mt -142.77 131.57 22.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.473 . . . . 0.0 112.184 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 28.4 tptp -83.05 72.35 10.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.527 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 48.8 m95 -58.16 138.01 56.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -58.86 143.86 46.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.328 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.03 -39.84 2.07 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.567 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -78.99 131.07 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.7 m -70.17 -166.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.445 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.673 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 8.2 t70 -67.42 -50.36 59.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.072 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -40.36 94.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.63 -36.79 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.405 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.673 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 76.9 m-20 -52.03 136.13 29.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.018 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 t -128.33 131.68 48.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.445 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.647 ' NE1' HD13 ' A' ' 39' ' ' LEU . 8.8 m95 -66.66 101.83 0.84 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.944 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.619 ' HB3' HD21 ' A' ' 58' ' ' LEU . 88.4 tt0 -88.13 137.63 31.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.189 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.66 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 9.6 Cg_endo -53.23 133.68 53.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.422 2.082 . . . . 0.0 111.768 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.9 tt0 -52.79 -30.37 32.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.578 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -57.21 -52.22 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.839 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.426 ' OD1' ' HG2' ' A' ' 54' ' ' PRO . 32.4 m120 -70.66 -31.29 68.16 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.731 ' HA ' ' HB1' ' B' ' 7' ' ' ALA . 17.3 mt -50.23 140.27 13.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 111.453 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.498 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 29.2 m-20 -127.92 41.11 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.19 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.747 ' SG ' HD11 ' A' ' 63' ' ' LEU . 8.9 p -144.02 59.76 7.37 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.224 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.93 -9.18 11.27 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.364 2.042 . . . . 0.0 112.053 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 35.0 t70 -65.79 -64.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.547 -179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.747 HD11 ' SG ' ' A' ' 60' ' ' CYS . 0.5 OUTLIER -68.42 -32.83 73.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.168 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 63' ' ' LEU . 77.4 mt -58.77 -41.8 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.42 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 71.8 mm-40 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 49.1 t80 -69.64 -51.97 30.04 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.031 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.648 ' N ' HD12 ' A' ' 68' ' ' LEU . 3.3 mp -78.23 -48.15 16.43 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 61.1 tt0 -46.5 -42.73 16.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -64.47 -42.86 95.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.187 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -84.26 35.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.115 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.601 ' HG3' ' H ' ' A' ' 73' ' ' THR . 44.4 tptt -70.68 -136.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.1 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.601 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 5.4 t -61.23 -39.77 91.51 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.12 38.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.474 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' ND1' ' N ' ' A' ' 76' ' ' GLU . 10.6 p80 -54.81 -42.23 71.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' N ' ' ND1' ' A' ' 75' ' ' HIS . 89.3 tt0 -89.62 131.15 35.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 78' ' ' ASP . 6.2 m 53.37 -126.59 2.41 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.738 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.452 ' N ' HG22 ' A' ' 77' ' ' THR . 2.6 p30 -174.14 37.5 0.01 OUTLIER 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.756 0.313 . . . . 0.0 110.801 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 63.71 133.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.25 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.797 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 34.3 tpt85 -59.73 -45.69 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.695 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 61.5 m 63.97 133.76 0.02 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.292 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.611 HH23 HG21 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 23' ' ' VAL . 3.2 mm100 -63.25 133.7 54.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.239 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 22' ' ' VAL . 27.5 p -155.78 154.05 30.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -155.67 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.579 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 89.7 mtm-85 44.81 -130.58 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.329 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.401 ' HD2' ' CD2' ' A' ' 21' ' ' TYR . . . . . . . . 0 C--O 1.232 0.141 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 79.8 p -174.73 -58.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.902 ' HB ' ' HG2' ' A' ' 18' ' ' GLU . 63.8 m -65.64 -72.11 0.17 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.458 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.493 ' H ' ' H ' ' A' ' 18' ' ' GLU . . . 67.24 148.71 0.12 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.698 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.45 -136.07 1.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.628 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.525 ' HD2' ' N ' ' B' ' 14' ' ' LYS . 12.2 mptt -63.43 130.42 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 111.07 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.585 ' HB3' ' HD3' ' B' ' 16' ' ' PRO . . . -68.61 -48.86 31.57 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.651 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.585 ' HD3' ' HB3' ' B' ' 15' ' ' ALA . 50.7 Cg_exo -54.33 134.64 62.03 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.279 1.986 . . . . 0.0 112.277 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.29 -132.32 42.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.312 -1.271 . . . . 0.0 112.427 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.799 0.333 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.7 mtt 54.84 42.48 31.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.68 136.15 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -127.86 -154.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.766 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -82.97 130.36 35.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.53 135.45 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.222 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -66.02 126.71 29.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.183 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' N ' HD13 ' A' ' 14' ' ' LEU . 39.9 tt0 -92.52 57.45 2.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.455 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 77.4 tt0 -172.16 -124.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.596 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' HG21 ' B' ' 11' ' ' THR . 5.2 tp10 -172.12 59.44 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.876 0.37 . . . . 0.0 110.797 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' HA ' ' OG1' ' B' ' 11' ' ' THR . 91.8 mt-10 -76.99 49.04 0.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.385 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.82 132.58 48.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.279 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -90.81 89.5 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.9 m-85 -62.46 133.66 55.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.136 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.88 ' HA ' HG22 ' B' ' 6' ' ' THR . 56.7 t -57.84 -47.28 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' TYR . 21.3 t 65.72 133.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.187 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -73.87 -55.97 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.42 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt 179.64 136.75 0.11 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.5 130.48 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.131 179.145 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.818 HD21 ' HB2' ' A' ' 41' ' ' LYS . 2.7 mm? -86.87 -71.43 0.55 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.971 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.5 m-20 -124.96 143.88 50.66 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB2' ' HE2' ' A' ' 67' ' ' PHE . 78.4 ttt180 -97.76 146.86 24.96 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 45.2 ttt85 -154.31 160.82 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.077 0.465 . . . . 0.0 111.652 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 36' ' ' VAL . 19.1 t -150.38 131.2 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.977 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 33' ' ' LYS . 19.6 m -98.63 -129.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' HG23 ' A' ' 32' ' ' VAL . 24.3 pttm -52.2 -21.75 3.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.654 0.264 . . . . 0.0 111.271 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.47 -26.97 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.141 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 31' ' ' VAL . 58.9 mtpt -60.39 159.38 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.051 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.678 ' HA ' HG22 ' A' ' 31' ' ' VAL . 3.3 t -122.46 89.7 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.729 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.631 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -88.62 130.69 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 111.554 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 43.0 m-85 -114.44 130.68 56.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.669 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.971 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 11.6 tp -74.88 141.85 44.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.4 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 26' ' ' VAL . 67.5 mt -139.88 135.63 33.09 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.818 ' HB2' HD21 ' A' ' 27' ' ' LEU . 28.0 tptp -89.22 73.22 8.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.562 ' NE1' ' HB ' ' A' ' 51' ' ' THR . 29.0 m95 -52.93 129.92 31.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.355 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.585 ' HD3' ' O ' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -66.82 150.66 48.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.611 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.19 -49.66 3.58 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.686 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' HH12 ' B' ' 9' ' ' MLY . 2.4 m-85 -68.47 140.65 55.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.322 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m -53.17 151.12 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 10.9 m-20 -52.05 -38.54 57.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.86 -29.28 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.582 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.47 42.34 0.12 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.803 ' HB3' HD11 ' A' ' 39' ' ' LEU . 88.6 m-20 -68.55 142.78 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.572 0.225 . . . . 0.0 110.48 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.562 ' HB ' ' NE1' ' A' ' 42' ' ' TRP . 66.9 m -143.19 129.06 19.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.177 0.513 . . . . 0.0 111.529 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.582 ' NE1' HD13 ' A' ' 39' ' ' LEU . 13.1 m95 -93.71 138.71 31.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.032 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 58' ' ' LEU . 58.1 mm-40 -119.09 143.92 34.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.913 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.426 ' O ' ' HB3' ' A' ' 55' ' ' GLU . 47.7 Cg_endo -67.11 26.9 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.822 2.348 . . . . 0.0 114.7 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.547 ' CA ' HD23 ' A' ' 58' ' ' LEU . 34.6 tt0 68.72 -42.05 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -57.82 -44.54 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' CG ' ' HA ' ' B' ' 10' ' ' SER . 34.7 m120 -65.89 -27.03 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.389 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -54.14 108.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.196 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.585 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -85.49 -22.86 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 109.498 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.635 ' SG ' HD12 ' A' ' 63' ' ' LEU . 11.5 p -93.42 102.76 8.1 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 59' ' ' ASP . 82.1 Cg_endo -78.8 -33.78 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.182 1.921 . . . . 0.0 112.045 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -54.71 -42.66 71.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.948 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.635 HD12 ' SG ' ' A' ' 60' ' ' CYS . 41.5 mt -59.68 -51.47 69.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.625 0.25 . . . . 0.0 111.401 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 77.2 mt -52.22 -46.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.632 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -64.93 -41.09 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.579 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -54.85 -46.8 74.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.428 ' HE2' ' HB2' ' A' ' 29' ' ' ARG . 15.8 t80 -65.64 -45.23 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.58 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 79.7 mt -63.13 -26.96 69.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.2 mm-40 -48.83 -43.32 38.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.56 0.219 . . . . 0.0 111.455 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 p -57.18 -43.96 83.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -67.99 -58.55 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.618 ' HG3' ' H ' ' A' ' 73' ' ' THR . 25.0 tptp 51.48 -134.42 1.62 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.45 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.618 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 88.1 m -71.53 -51.65 22.41 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.6 51.0 1.59 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.177 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -55.65 131.59 46.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.759 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.83 132.92 48.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.987 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.5 t -175.55 40.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 56.93 44.41 23.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.748 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -171.22 135.13 0.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.946 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.726 0.298 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -174.51 -45.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.8 p -70.01 -140.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.532 ' O ' HG23 ' B' ' 6' ' ' THR . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.047 0.451 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.563 ' C ' ' HB3' ' A' ' 60' ' ' CYS . 30.8 mt-30 58.03 -114.54 0.78 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.034 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.88 HG22 ' HA ' ' A' ' 22' ' ' VAL . 29.1 p 63.43 129.72 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.047 0.539 . . . . 0.0 112.372 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . . . -100.18 -132.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.488 ' HD3' ' OG1' ' B' ' 11' ' ' THR . 31.8 ttm180 -178.4 139.89 0.2 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.417 HH12 ' CD2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.178 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.473 ' HA ' ' CG ' ' A' ' 57' ' ' ASN . 48.3 t 53.39 42.37 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.367 . . . . 0.0 111.032 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.488 ' OG1' ' HD3' ' B' ' 8' ' ' ARG . 81.0 p -68.95 -135.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.416 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -60.14 -54.3 38.5 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.399 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.79 -44.35 1.77 Allowed Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.966 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -62.76 133.06 54.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.065 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.56 133.76 0.04 OUTLIER Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.461 ' HB2' ' H ' ' B' ' 17' ' ' GLY . 56.6 Cg_endo -69.34 -139.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.459 2.106 . . . . 0.0 112.138 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.461 ' H ' ' HB2' ' B' ' 16' ' ' PRO . . . -69.45 -134.35 0.07 OUTLIER Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.582 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.583 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.0 m170 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.594 0.235 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.782 ' HG3' HG23 ' A' ' 10' ' ' VAL . 15.6 tpt 65.56 143.41 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.318 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.782 HG23 ' HG3' ' A' ' 9' ' ' MET . 59.2 t 74.13 -32.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.527 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 9' ' ' MET . 49.7 mt-10 66.99 137.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.015 0.436 . . . . 0.0 111.188 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -58.28 136.25 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.371 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.31 143.93 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.04 37.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.586 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -74.67 -49.94 19.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.625 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -75.8 135.41 40.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.594 ' O ' ' HD2' ' B' ' 9' ' ' MLY . 49.0 mt-10 -61.75 136.42 57.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 56.6 mt-10 -65.15 -111.37 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.255 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 14.8 pt-20 50.3 142.98 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -70.54 131.42 43.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.839 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 23' ' ' VAL . 4.1 m-85 -101.93 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.222 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.786 HG22 HH22 ' B' ' 4' ' ' MLY . 46.3 t -54.69 -46.54 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.554 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 21' ' ' TYR . 17.4 t 64.48 127.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.368 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -79.22 -48.67 13.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -178.94 138.2 0.15 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.487 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.856 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -63.49 130.73 28.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.749 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 96.2 mt -79.95 -61.43 1.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.641 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.98 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 75.9 m-20 -133.85 -159.17 0.94 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 33.4 ttp180 -163.89 127.2 2.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.213 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 38.2 ptt85 -157.02 137.39 12.93 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 35' ' ' LYS . 59.8 t -85.4 140.49 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.049 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.7 HG23 ' HG2' ' A' ' 33' ' ' LYS . 27.7 m -93.97 -41.98 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 111.748 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.7 ' HG2' HG23 ' A' ' 32' ' ' VAL . 22.7 pttm -171.91 61.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.561 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.2 -22.81 27.61 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.611 ' HB2' HG22 ' A' ' 32' ' ' VAL . 14.2 mmmm -73.04 -151.25 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.149 0.5 . . . . 0.0 110.345 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.5 p -172.45 136.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.126 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -152.11 131.48 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.461 ' HB2' HD11 ' A' ' 58' ' ' LEU . 7.4 m-85 -106.48 130.32 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.143 0.497 . . . . 0.0 112.206 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.98 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 16.6 tp -65.32 139.75 58.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.856 HD23 ' HA ' ' A' ' 26' ' ' VAL . 29.7 mt -142.22 133.41 26.17 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 41' ' ' LYS . 7.7 tmtm? -81.72 86.03 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.524 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.427 ' HH2' ' OE1' ' A' ' 53' ' ' GLU . 73.3 m95 -61.96 130.14 44.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.443 -178.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -66.22 142.45 57.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.308 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -42.74 2.21 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.956 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CE2' HH12 ' B' ' 9' ' ' MLY . 1.9 m-85 -73.79 131.67 41.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 57.9 m -59.7 157.02 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -50.54 -29.84 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 15.4 pt-20 -67.49 -40.61 85.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.223 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' OD1' ' HG3' ' A' ' 48' ' ' GLU . 37.2 m-20 -77.05 33.25 0.15 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -90.2 141.13 29.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.714 0.292 . . . . 0.0 110.752 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -144.62 132.89 21.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.082 0.467 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.545 ' NE1' HD13 ' A' ' 39' ' ' LEU . 11.1 m95 -72.9 111.13 7.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.726 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.534 ' HB3' HD21 ' A' ' 58' ' ' LEU . 86.3 tt0 -94.54 136.34 23.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.746 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.467 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.9 Cg_endo -54.73 133.99 60.24 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 44.1 tt0 -55.42 -33.07 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -50.48 -49.71 54.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.031 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -73.49 -33.9 65.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.02 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 53' ' ' GLU . 24.6 mt -53.6 134.56 41.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.992 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -121.92 39.22 3.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.133 0.492 . . . . 0.0 110.247 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.82 ' HB2' HD13 ' A' ' 63' ' ' LEU . 25.0 p -131.49 59.96 49.02 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.347 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 52.8 Cg_exo -54.48 -35.88 86.6 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.473 2.115 . . . . 0.0 112.032 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 65.6 t0 -58.62 -50.86 72.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.719 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.82 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -63.91 -43.59 95.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.603 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 74.8 mt -55.14 -42.16 63.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.604 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.5 mt-10 -57.11 -43.39 82.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.5 t80 -65.62 -44.22 87.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.2 mt -64.08 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.211 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 85.0 mt-30 -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -85.89 34.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -146.37 -31.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 68' ' ' LEU . 75.1 mmtt -52.07 116.2 2.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.382 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 90.5 m 73.74 -44.68 0.58 Allowed 'General case' 0 CA--C 1.529 0.161 0 O-C-N 123.688 0.617 . . . . 0.0 110.804 -179.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -179.92 -47.06 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.478 ' HD2' HG22 ' A' ' 77' ' ' THR . 79.3 t60 -177.4 -32.63 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.096 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 66.95 55.4 0.72 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.478 HG22 ' HD2' ' A' ' 75' ' ' HIS . 66.8 p -52.48 -39.63 61.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.327 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -165.34 -44.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.703 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.614 ' NZ ' ' HB2' ' A' ' 79' ' ' LYS . 10.1 mtmp? -69.38 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.842 179.917 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.802 0.334 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' B' ' 2' ' ' ARG . 23.5 ptt-85 -173.41 131.53 0.46 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 80.8 p -82.32 45.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.786 HH22 HG22 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 121.131 0.491 . . . . 0.0 110.4 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.479 ' OE1' ' HA ' ' A' ' 60' ' ' CYS . 43.8 mm-40 57.92 -93.37 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.611 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.535 HG23 ' O ' ' B' ' 4' ' ' MLY . 69.3 p 53.5 -154.32 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.196 0.522 . . . . 0.0 112.247 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.56 -119.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.986 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.553 ' NE ' ' HB3' ' A' ' 18' ' ' GLU . 26.5 ttt85 -178.59 -138.85 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.594 ' HD2' ' O ' ' A' ' 17' ' ' GLU . . . . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.9 t 58.66 36.09 24.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.58 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.8 p 45.49 53.78 8.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.823 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 18' ' ' GLU . . . -77.01 52.36 3.29 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.768 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.38 -117.64 0.43 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.438 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.55 ' HB2' ' NZ ' ' B' ' 14' ' ' LYS . 4.3 ttmp? 65.98 -129.01 0.25 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.465 ' H ' ' HG2' ' B' ' 14' ' ' LYS . . . 55.77 59.61 9.37 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-O 120.611 0.244 . . . . 0.0 111.197 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.464 ' HD3' ' HG2' ' B' ' 14' ' ' LYS . 21.1 Cg_endo -60.57 132.19 41.9 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.421 2.081 . . . . 0.0 112.318 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.62 -44.51 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.471 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.078 0.466 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.413 ' N ' ' SD ' ' A' ' 9' ' ' MET . 1.6 mpt? -63.18 134.63 56.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.018 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.672 HG23 ' HG2' ' A' ' 12' ' ' GLU . 26.9 m -63.78 142.14 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 62.5 mm-40 -56.52 -41.87 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.383 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.672 ' HG2' HG23 ' A' ' 10' ' ' VAL . 51.5 mm-40 73.93 -36.26 0.33 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.696 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -77.64 38.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.75 0.31 . . . . 0.0 111.707 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.2 tp -177.98 123.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.758 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.777 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 43.9 tt0 178.79 129.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.524 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.61 11.34 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.309 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.777 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 16.7 pt-20 38.83 -146.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.463 0.477 . . . . 0.0 111.426 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -69.21 146.02 52.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.494 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 38.8 tt0 -143.62 142.35 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.049 0.452 . . . . 0.0 111.652 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.543 ' HG3' ' HE ' ' B' ' 8' ' ' ARG . 49.5 mt-10 -78.52 131.32 36.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 6.6 m-85 -121.09 134.45 55.26 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 110.731 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.624 ' HB ' ' HE3' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -55.38 138.52 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.247 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.821 HG21 HD22 ' A' ' 40' ' ' LEU . 8.3 p -134.66 138.04 50.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 111.439 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -74.08 -56.77 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.424 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.964 ' HA ' HD23 ' A' ' 63' ' ' LEU . 88.1 tttt -175.2 146.79 0.86 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.778 ' HA ' HD23 ' A' ' 40' ' ' LEU . 23.8 m -65.49 136.03 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 2.9 mm? -90.46 -19.32 24.02 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 19.0 t70 -179.64 -150.96 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.609 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.509 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 39.6 ptt180 -168.6 138.02 2.32 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.4 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.632 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.7 ptm180 -155.57 133.34 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.086 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -84.66 129.99 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.994 0.426 . . . . 0.0 111.597 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 35' ' ' LYS . 14.5 m -89.99 -124.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.615 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' HG23 ' A' ' 32' ' ' VAL . 18.4 ptpt -54.02 -24.39 16.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.139 0.495 . . . . 0.0 109.962 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.02 -25.97 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 32' ' ' VAL . 95.2 mttt -83.75 139.3 32.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.41 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.664 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 14.4 p -85.9 133.93 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.6 pt-20 -123.26 128.93 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.776 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 9.9 m-85 -102.29 123.8 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.25 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.969 HD11 ' HB3' ' A' ' 50' ' ' ASN . 16.1 tp -57.79 147.01 29.53 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.821 HD22 HG21 ' A' ' 23' ' ' VAL . 97.4 mt -147.01 128.91 15.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -84.89 103.86 14.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.529 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.795 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 68.2 m95 -82.23 130.11 35.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 111.953 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.624 ' HE3' ' HB ' ' A' ' 22' ' ' VAL . 10.3 mtmp? -65.07 146.45 54.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.285 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.27 3.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.426 ' CE2' HH23 ' B' ' 9' ' ' MLY . 1.9 m-85 -68.83 140.47 55.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.513 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 54.7 m -49.76 138.17 14.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.68 -40.05 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.036 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -56.89 -32.64 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.513 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -74.83 37.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.969 ' HB3' HD11 ' A' ' 39' ' ' LEU . 65.5 m-20 -67.67 143.25 56.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 178.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.9 m -141.23 125.11 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.69 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.684 ' NE1' HD13 ' A' ' 39' ' ' LEU . 7.7 m95 -80.38 147.83 30.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.288 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.676 ' HB2' HD21 ' A' ' 58' ' ' LEU . 72.9 mm-40 -142.67 143.97 28.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.664 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 9.5 Cg_endo -52.91 132.21 46.04 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.567 2.178 . . . . 0.0 111.798 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.476 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 pt-20 -55.62 -34.41 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -52.75 -51.74 59.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.687 0.279 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.421 ' OD1' ' HG2' ' A' ' 54' ' ' PRO . 30.4 m120 -70.27 -34.89 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.665 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 53' ' ' GLU . 14.5 mt -51.42 120.51 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.032 0.444 . . . . 0.0 111.627 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.52 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.9 t70 -100.09 48.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.764 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.025 ' HB2' HD13 ' A' ' 63' ' ' LEU . 26.4 p -150.22 60.98 4.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.329 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.0 Cg_exo -54.46 -33.37 77.37 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.433 2.089 . . . . 0.0 112.025 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 8.8 t70 -55.98 -43.62 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.994 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 1.025 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.7 mp -65.89 -41.06 92.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.939 0.4 . . . . 0.0 110.215 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.571 ' O ' HD13 ' A' ' 68' ' ' LEU . 45.9 mm -56.38 -45.42 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.892 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.63 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.73 -44.55 93.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 97.4 mt-10 -51.42 -41.16 60.57 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.746 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.565 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 36.3 t80 -60.16 -57.53 12.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.278 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 64' ' ' ILE . 6.4 mp -60.61 -25.76 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 12.2 mm100 -50.19 -49.53 52.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.7 p -65.16 -39.37 92.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 9.2 mm-40 -71.23 -116.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.617 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.613 ' HG3' ' H ' ' A' ' 73' ' ' THR . 19.7 tptm 58.59 -138.76 0.8 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.613 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 67.9 p -69.31 -43.31 74.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.044 0.449 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.68 47.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.945 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 16.5 p-80 -66.5 -136.94 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.959 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -132.18 42.1 3.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.863 0.363 . . . . 0.0 111.056 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 78' ' ' ASP . 6.4 m 52.95 -123.26 2.16 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.715 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 77' ' ' THR . 30.9 m-20 56.89 45.78 20.82 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.751 0.31 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -61.97 136.33 57.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.042 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.474 0.178 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' B' ' 2' ' ' ARG . 52.2 ttp85 -172.98 49.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.184 0.516 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 84.9 m -163.35 134.04 4.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.58 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.406 ' HD2' HH23 ' B' ' 4' ' ' MLY . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.545 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -61.0 138.09 58.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.428 -179.572 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 22' ' ' VAL . 52.5 p -150.83 128.1 11.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.21 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.795 ' HB3' ' HH2' ' A' ' 42' ' ' TRP . . . -117.56 123.78 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.188 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.543 ' HE ' ' HG3' ' A' ' 20' ' ' GLU . 99.6 mtt180 -66.54 143.95 56.74 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.041 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.52 HH11 ' CG ' ' A' ' 42' ' ' TRP . . . . . . . . 0 C--N 1.333 -0.14 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.789 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' SER . . . . . 0.444 ' HB2' ' OE1' ' A' ' 53' ' ' GLU . 34.1 t 62.79 -128.37 0.58 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.377 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.562 HG22 ' H ' ' B' ' 13' ' ' GLY . 75.5 m -60.07 139.28 57.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 0.0 111.17 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.01 -37.29 91.36 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.764 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.562 ' H ' HG22 ' B' ' 11' ' ' THR . . . -162.66 140.87 6.79 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.698 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -169.9 -37.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.686 0.279 . . . . 0.0 110.604 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 67.22 136.87 0.05 OUTLIER Pre-proline 0 C--N 1.333 -0.15 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.456 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.02 -44.39 12.88 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.667 2.245 . . . . 0.0 112.428 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.53 -41.87 2.15 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.737 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.584 -179.889 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.9 m80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.81 0.338 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.1 ptm -174.17 35.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.823 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.35 134.74 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.959 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.46 131.99 52.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -64.24 -44.4 91.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -147.09 132.11 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.0 134.34 44.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -174.34 133.22 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.046 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -56.09 -60.2 3.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.924 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 63.68 128.02 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.45 . . . . 0.0 111.181 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CB ' ' HB3' ' B' ' 8' ' ' ARG . 56.7 mp0 -81.54 -144.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.77 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -160.68 134.77 7.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.757 0.313 . . . . 0.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 38.3 mt-10 -68.82 132.78 47.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.367 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.88 130.03 44.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.393 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.534 HG11 HH13 ' B' ' 4' ' ' MLY . 61.5 t -52.95 118.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.773 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HB ' ' CZ3' ' A' ' 42' ' ' TRP . 7.1 p -119.9 135.11 61.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.242 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.82 -54.2 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.955 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -177.55 150.35 0.68 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.323 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.924 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -69.09 137.04 25.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.185 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 97.3 mt -92.84 -45.65 7.9 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.466 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.691 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 29.5 t0 -151.3 -160.83 1.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.546 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.482 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.3 ptt85 -168.79 135.77 1.89 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.305 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 40.1 ptt85 -156.2 134.58 11.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.041 0.448 . . . . 0.0 111.644 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -75.05 147.14 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.029 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.77 HG23 ' HG2' ' A' ' 33' ' ' LYS . 26.9 m -127.72 -33.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.5 ptmt -164.18 51.57 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.884 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.9 5.98 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.634 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -85.88 144.78 27.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 111.015 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -107.24 105.65 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.235 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 22.7 pt-20 -89.48 129.4 35.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.611 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.473 ' HB2' HD11 ' A' ' 58' ' ' LEU . 5.8 m-85 -106.7 131.18 54.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.234 0.54 . . . . 0.0 111.968 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.691 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 10.7 tp -64.49 143.44 57.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.986 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.924 HD23 ' HA ' ' A' ' 26' ' ' VAL . 72.3 mt -149.96 134.12 17.15 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 23' ' ' VAL . 40.7 ttmt -91.2 141.04 29.23 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.721 178.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.62 ' CZ3' ' HB ' ' A' ' 23' ' ' VAL . 10.8 m95 -126.22 136.28 52.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.07 0.462 . . . . 0.0 111.736 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.595 ' NZ ' ' HB2' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -60.09 147.1 40.64 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.5 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.11 -52.9 4.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.606 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.08 141.09 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.707 0.289 . . . . 0.0 110.591 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 t -50.9 143.06 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 64.3 t0 -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 8.7 mp0 -58.64 -25.82 63.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.461 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -73.59 34.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.536 ' HB3' HD11 ' A' ' 39' ' ' LEU . 74.3 m-20 -72.93 141.36 47.83 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.416 HG21 HH22 ' B' ' 9' ' ' MLY . 48.4 p -129.66 128.41 42.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.673 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.7 m95 -80.97 108.97 15.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.591 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.766 ' HB2' HD21 ' A' ' 58' ' ' LEU . 31.0 mt-10 -100.9 150.31 36.93 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.348 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 38.4 Cg_exo -55.23 136.73 74.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.141 1.894 . . . . 0.0 111.7 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.99 -39.73 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.62 -44.91 89.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.809 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.584 ' HA ' HH21 ' B' ' 8' ' ' ARG . 3.9 m120 -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 53' ' ' GLU . 6.3 mt -59.46 127.79 33.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 111.643 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.926 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.0 t70 -102.28 49.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.332 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.668 ' HB2' ' HG3' ' B' ' 5' ' ' GLN . 24.0 p -163.23 65.47 1.51 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.442 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HA ' HD13 ' A' ' 64' ' ' ILE . 10.8 Cg_endo -53.77 -27.28 42.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.756 2.304 . . . . 0.0 112.112 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 55.2 m-20 -53.29 -46.9 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.6 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 66.5 mt -61.94 -44.75 96.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.241 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.583 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 mp -52.34 -45.93 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.986 0.422 . . . . 0.0 110.471 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -68.65 -41.61 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.015 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 54.0 mt-10 -59.72 -40.39 87.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.782 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' HB2' HG22 ' A' ' 26' ' ' VAL . 16.1 t80 -69.26 -45.84 68.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.7 mt -63.32 -20.72 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.95 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 48.3 mm-40 -48.83 -43.48 38.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.666 0.27 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.7 m -56.66 -47.28 80.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.064 0.459 . . . . 0.0 109.896 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -75.64 -127.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.329 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' ALA . 65.0 tttp 64.04 125.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.694 0.283 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.9 m 56.76 -85.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.312 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -82.08 48.42 1.24 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.955 0.407 . . . . 0.0 110.168 178.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.404 ' ND1' ' N ' ' A' ' 76' ' ' GLU . 11.0 p80 -49.09 -36.4 18.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.503 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' N ' ' ND1' ' A' ' 75' ' ' HIS . 4.5 tm-20 -169.04 135.64 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.535 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 79' ' ' LYS . 85.3 m -160.8 136.91 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.677 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -76.75 32.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.412 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 77' ' ' THR . 60.9 pttt 36.56 -141.24 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.682 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.954 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -66.79 134.43 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.192 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.675 HG22 ' HG3' ' B' ' 4' ' ' MLY . 92.1 m -163.21 -63.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.675 ' HG3' HG22 ' B' ' 3' ' ' THR . . . . . . . . 0 C--O 1.233 0.199 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' A' ' 60' ' ' CYS . 13.1 mp0 63.6 137.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.056 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.7 p -150.15 -35.33 0.16 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.926 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . 60.0 -152.63 0.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.584 HH21 ' HA ' ' A' ' 57' ' ' ASN . 84.8 mtm180 -157.99 133.13 8.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.363 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.496 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.329 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -57.56 112.48 1.45 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m 61.22 127.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.488 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.53 123.99 32.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.277 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.31 41.57 2.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.647 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' B' ' 15' ' ' ALA . 49.9 tptt -174.8 -123.3 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 110.468 -0.197 . . . . 0.0 110.468 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.433 ' N ' ' HD3' ' B' ' 16' ' ' PRO . . . -169.62 59.43 0.36 Allowed Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 120.618 0.247 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' B' ' 15' ' ' ALA . 51.4 Cg_exo -53.52 137.98 66.01 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.565 2.176 . . . . 0.0 112.393 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.82 47.64 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.918 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.438 -179.997 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.858 0.361 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.3 tpp -169.83 46.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.221 0.534 . . . . 0.0 110.387 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 11' ' ' GLU . 7.4 p -174.69 -43.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.787 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' VAL . 43.9 tp10 -67.14 147.22 53.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.494 179.519 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.588 ' HG2' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -158.36 -44.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.566 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG12 ' HG2' ' A' ' 12' ' ' GLU . 14.4 p -175.58 43.53 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.302 0.572 . . . . 0.0 111.216 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.6 tp -78.86 134.03 36.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.723 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -173.65 145.02 1.15 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.861 0.362 . . . . 0.0 111.204 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -145.11 -47.01 0.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.601 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 4.9 tp10 55.26 38.08 29.86 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.092 179.638 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.609 ' HB3' ' HB3' ' B' ' 8' ' ' ARG . 95.0 mt-10 -97.73 123.8 41.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.976 179.702 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.618 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 55.9 mt-10 -89.52 135.87 33.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -79.29 76.35 5.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.892 -179.715 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.618 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 5.7 m-85 -61.09 132.75 54.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 110.567 179.256 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.594 HG11 HH13 ' B' ' 4' ' ' MLY . 84.0 t -59.77 137.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.47 HG21 ' HB3' ' B' ' 7' ' ' ALA . 47.8 t -125.6 125.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.926 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -76.63 -46.0 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 4.9 ttmp? -174.33 140.69 0.67 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.042 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.901 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -67.97 130.01 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.828 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 91.6 mt -77.75 -50.72 11.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.533 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.536 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 30.9 t0 -149.58 -151.66 0.4 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.288 -0.565 . . . . 0.0 112.035 -179.323 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 42.5 ttp180 -163.97 134.67 4.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.104 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 14.6 ptm180 -156.14 147.28 22.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.725 179.014 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 36' ' ' VAL . 8.6 p -135.96 141.3 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.607 179.307 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.859 HG23 ' HG3' ' A' ' 33' ' ' LYS . 14.3 m -119.72 -33.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.517 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.859 ' HG3' HG23 ' A' ' 32' ' ' VAL . 52.4 mttp -145.24 51.29 1.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.81 -8.31 7.92 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.571 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HD2' HG22 ' A' ' 32' ' ' VAL . 8.6 ptpt -89.0 43.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.759 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 36' ' ' VAL . 7.7 p -36.32 95.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.363 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' A' ' 52' ' ' TRP . 13.8 pt-20 -89.11 126.66 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.581 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.537 ' HB2' HD11 ' A' ' 58' ' ' LEU . 15.0 m-85 -97.01 133.78 41.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.647 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.828 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.184 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.901 HD23 ' HA ' ' A' ' 26' ' ' VAL . 94.6 mt -143.23 129.81 20.19 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.648 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 3.6 tmmm? -85.49 110.16 18.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -92.0 140.39 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -62.52 146.09 52.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.274 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -43.58 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.023 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' CZ ' HH21 ' B' ' 9' ' ' MLY . 2.6 m-85 -78.84 128.77 33.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.61 172.98 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.589 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 35.5 t70 -56.57 -42.47 78.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.3 -40.32 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 1.1 m-20 -62.37 -24.71 67.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.242 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 85.9 m-20 -45.39 145.85 1.11 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 111.45 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -144.83 130.59 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.409 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.779 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 5.4 m95 -69.32 128.89 38.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 -179.331 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.682 ' HB2' HD21 ' A' ' 58' ' ' LEU . 55.9 mm-40 -114.78 145.91 34.94 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.495 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.7 Cg_endo -54.66 134.61 63.24 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.44 2.093 . . . . 0.0 111.691 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 42.1 tt0 -52.7 -40.18 62.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.547 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.88 -46.87 74.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 2.8 m120 -64.4 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.96 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' A' ' 53' ' ' GLU . 12.1 mt -58.7 130.09 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.654 -178.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -111.82 43.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.61 178.806 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.683 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 56.3 m -125.8 61.39 38.17 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 59' ' ' ASP . 50.3 Cg_exo -53.67 -42.57 65.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.36 2.04 . . . . 0.0 112.556 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.47 ' H ' HE21 ' B' ' 5' ' ' GLN . 64.8 t0 -67.29 -48.72 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.405 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 43.2 mt -60.47 -45.05 95.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.342 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 60' ' ' CYS . 80.0 mt -55.31 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -55.26 -38.47 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 179.063 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 17.7 tp10 -58.61 -33.5 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.42 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.477 ' HB2' HG22 ' A' ' 26' ' ' VAL . 46.1 t80 -72.67 -55.63 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.248 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.667 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -64.06 -45.23 89.7 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 89.3 mt-30 -53.51 -42.82 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.589 0.233 . . . . 0.0 111.287 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.099 0.476 . . . . 0.0 110.348 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -84.32 -121.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.911 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt 65.31 66.7 0.53 Allowed 'General case' 0 C--O 1.231 0.097 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.7 p 55.74 54.75 7.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.601 -179.137 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.98 -131.62 0.28 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.61 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -166.69 132.46 2.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.109 0.48 . . . . 0.0 111.491 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -155.22 44.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.502 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 84.6 m 65.75 137.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.286 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -168.04 139.61 2.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.961 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 2.6 mmmp? -61.44 -48.02 83.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.159 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.032 -179.893 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.962 0.41 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.428 ' HG2' HH11 ' B' ' 2' ' ' ARG . 11.7 tpt180 -63.12 140.05 58.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -143.08 133.32 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.594 HH13 HG11 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.683 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 12.2 mm100 -155.43 -41.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.074 179.714 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.5 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 43.6 p 59.42 141.43 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.597 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.47 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -135.64 119.54 17.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.938 178.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.609 ' HB3' ' HB3' ' A' ' 18' ' ' GLU . 83.0 mtm180 -72.83 125.66 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.302 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.457 HH21 ' CZ ' ' A' ' 45' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.192 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -76.27 44.03 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.425 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.428 ' H ' ' C ' ' B' ' 9' ' ' MLY . 82.7 p -66.96 -54.22 24.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.984 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.07 131.62 30.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.89 52.65 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm 61.26 47.96 6.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.787 0.327 . . . . 0.0 110.7 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . 65.91 132.72 0.04 OUTLIER Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.305 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 45.6 Cg_exo -56.37 137.18 79.26 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.512 2.141 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.81 44.26 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.456 -1.191 . . . . 0.0 112.407 179.946 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.1 t60 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.509 0.195 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.0 ptm 39.86 47.34 1.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.627 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.01 133.45 25.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.029 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -69.21 -149.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -77.25 -50.87 11.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.805 0.336 . . . . 0.0 111.124 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' ' 13' ' ' VAL . 16.8 t 57.35 50.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.16 0.505 . . . . 0.0 110.804 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.4 tp -173.37 50.19 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -148.67 135.95 20.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -172.1 -41.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 56.43 44.62 24.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.112 0.482 . . . . 0.0 110.556 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HB3' ' HD3' ' B' ' 8' ' ' ARG . 56.6 mt-10 -80.46 46.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.371 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 5.5 tp10 -58.31 131.53 50.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.8 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 40.7 mt-10 -81.65 117.55 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.006 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.22 131.35 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.712 179.516 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.647 ' HA ' HG22 ' B' ' 6' ' ' THR . 51.3 t -62.11 123.07 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 111.406 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 40' ' ' LEU . 58.9 t -96.66 128.32 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 179.296 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -72.68 -49.54 30.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD22 ' A' ' 63' ' ' LEU . 4.2 tppp? -178.41 135.63 0.15 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.491 0.662 . . . . 0.0 111.161 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.07 125.49 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.714 ' HB2' HD13 ' A' ' 39' ' ' LEU . 91.2 mt -86.24 -53.4 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.623 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 55.8 t0 -155.57 146.33 22.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.383 -0.527 . . . . 0.0 112.186 -178.758 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -96.84 146.34 25.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.129 179.151 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 78.0 ttt180 -153.96 161.82 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.081 0.467 . . . . 0.0 111.486 -178.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 t -147.95 138.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.373 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 p -156.61 128.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.639 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.614 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 4.9 ttmp? 61.13 37.01 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.367 0.603 . . . . 0.0 109.857 -178.793 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.83 -23.76 2.97 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.566 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.37 148.63 27.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 111.142 -179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' A' ' 38' ' ' TYR . 3.1 t -115.52 78.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.613 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 12.5 pt-20 -87.58 126.61 35.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.49 . . . . 0.0 111.205 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.618 ' HB2' HD11 ' A' ' 58' ' ' LEU . 25.0 m-85 -110.02 145.73 36.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.387 178.24 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -88.35 137.02 32.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.784 -179.731 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' LEU . 1.8 mm? -129.06 135.15 48.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.578 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -86.1 65.68 9.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.373 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.693 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 47.7 m95 -45.04 131.99 7.16 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 -178.522 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 14.6 ptmm? -63.25 143.69 57.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.895 -179.277 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.03 -40.68 1.91 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.106 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 m-85 -74.15 133.24 42.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 111.231 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -61.11 165.91 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.542 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 12.0 p-10 -53.03 -46.22 68.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.826 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.6 -37.59 87.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.408 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . 53.3 m-20 -56.32 -32.45 64.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.447 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.693 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 83.1 m-20 -45.66 143.45 1.98 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 110.926 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.568 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 5.9 t -135.88 132.58 36.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.811 -179.847 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.674 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 7.0 m95 -70.61 131.1 43.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' A' ' 58' ' ' LEU . 40.5 tt0 -126.84 136.92 29.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.073 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.575 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.5 Cg_endo -54.38 137.54 72.02 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.537 2.158 . . . . 0.0 111.957 179.763 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.456 ' HA ' HD12 ' A' ' 58' ' ' LEU . 4.8 tm-20 -51.05 -33.82 27.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.489 -179.356 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -49.75 -52.49 31.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.505 -179.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -75.18 -32.98 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.279 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 53' ' ' GLU . 26.4 mt -50.26 156.5 0.82 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.249 0.547 . . . . 0.0 111.921 -179.074 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' B' ' 5' ' ' GLN . 56.4 m-20 -142.93 45.21 1.58 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.575 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.679 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 78.7 m -132.51 54.91 15.1 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.27 -38.75 89.52 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.234 1.956 . . . . 0.0 111.907 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -63.51 -48.13 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.593 HD22 ' HE2' ' A' ' 25' ' ' LYS . 43.8 mt -64.3 -45.32 88.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.042 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 60' ' ' CYS . 87.6 mt -53.1 -38.74 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.18 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.47 -45.65 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.273 178.825 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.5 -39.31 83.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.807 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.53 -46.9 85.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.197 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.37 -38.71 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.715 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 88.3 mt-30 -52.36 -38.73 59.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.352 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.0 t -56.72 -49.04 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.009 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -70.48 -58.35 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.917 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER 51.96 -118.76 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.984 -179.838 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.403 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 81.8 m -60.95 -38.42 85.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.96 0.409 . . . . 0.0 110.321 179.263 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.86 -45.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.011 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -171.99 47.13 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.256 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.797 ' HG2' HG23 ' A' ' 77' ' ' THR . 88.0 tt0 -63.65 136.0 57.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.896 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.797 HG23 ' HG2' ' A' ' 76' ' ' GLU . 42.9 p 58.95 136.25 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.042 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -172.57 -47.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.558 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 0.3 OUTLIER -174.25 -144.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 179.798 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.891 179.996 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.491 0.186 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -59.59 -42.75 93.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.7 0.286 . . . . 0.0 111.232 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' B' ' 4' ' ' MLY . 5.5 t -63.68 122.19 15.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 0.0 111.46 -179.64 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.469 ' HB3' ' O ' ' B' ' 3' ' ' THR . . . . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.879 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.679 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 10.2 mm100 64.03 139.15 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.887 179.272 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.647 HG22 ' HA ' ' A' ' 22' ' ' VAL . 72.6 p -119.38 -162.31 0.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -174.11 43.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.979 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.8 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 61.1 mtt-85 32.93 -128.27 0.06 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.376 179.048 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.546 ' HG2' ' O ' ' B' ' 9' ' ' MLY . . . . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 121.438 0.637 . . . . 0.0 109.664 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.2 t 55.13 37.17 28.49 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.1 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 86.7 m 63.03 136.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.548 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.82 138.35 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.573 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.0 141.98 5.62 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.624 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -163.79 -75.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.577 0.227 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . 178.69 137.29 0.25 Allowed Pre-proline 0 CA--C 1.528 0.109 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 22.0 Cg_exo -64.88 -137.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.776 2.317 . . . . 0.0 112.069 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.85 -45.11 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.607 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.534 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.1 mtt 58.48 45.76 16.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -61.58 137.19 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -171.36 140.16 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.026 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -169.62 -46.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.14 139.22 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.674 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.0 mm? -62.26 132.32 52.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.677 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.32 125.05 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 5.2 mm-40 -87.88 49.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.297 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 40.78 -130.74 0.39 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.391 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -76.37 54.81 0.94 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.738 0.304 . . . . 0.0 111.4 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 39.3 tt0 -57.04 142.55 41.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -179.805 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -82.19 79.32 8.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.5 m-85 -60.12 140.68 56.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.608 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.698 ' HA ' HG22 ' B' ' 6' ' ' THR . 54.4 t -58.32 -39.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.474 -179.357 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' B' ' 7' ' ' ALA . 21.0 t 67.07 135.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.387 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 39.3 tt0 -78.5 -60.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.56 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.596 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 5.8 ttpm? 175.73 146.91 0.09 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.594 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.742 ' HA ' HD23 ' A' ' 40' ' ' LEU . 30.8 m -61.31 130.54 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.647 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 39' ' ' LEU . 93.8 mt -86.45 -19.85 29.0 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' HB2' ' CH2' ' A' ' 52' ' ' TRP . 49.5 m-20 -160.39 -154.5 0.38 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HG2' HH11 ' A' ' 29' ' ' ARG . 44.7 ttp85 -169.0 113.84 0.57 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.485 -179.554 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.9 ptt180 -155.86 126.91 7.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.994 178.741 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.922 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 13.2 p -88.41 142.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.153 0.502 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.4 m -139.02 143.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.018 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HE2' ' HZ2' ' A' ' 35' ' ' LYS . 24.4 pttm 45.24 40.74 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.522 0.514 . . . . 0.0 111.667 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.89 -26.25 6.85 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.665 0.626 . . . . 0.0 114.665 178.474 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.734 ' C ' HG23 ' A' ' 31' ' ' VAL . 8.9 ptpp? -104.68 128.79 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.726 0.763 . . . . 0.0 111.609 -178.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.922 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 2.7 t -72.47 124.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.936 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -106.5 127.04 53.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 110.542 178.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.479 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 54.6 m-85 -108.97 121.84 45.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.007 179.78 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 19.5 tp -59.92 142.05 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.646 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 26' ' ' VAL . 93.0 mt -144.45 130.98 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 6.0 tmtm? -80.33 75.92 7.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.273 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.433 ' HZ2' ' HB2' ' A' ' 53' ' ' GLU . 56.7 m95 -52.34 124.05 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.774 -178.888 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -55.6 142.67 32.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.218 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.31 -43.09 2.46 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 2.5 m-85 -72.96 137.65 45.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.892 0.377 . . . . 0.0 111.306 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.41 154.95 9.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.01 -34.99 31.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.91 -38.63 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 31.0 m-20 -60.68 -18.44 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.612 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.629 ' ND2' ' HA ' ' A' ' 41' ' ' LYS . 3.0 m120 -43.11 144.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 111.43 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -146.61 130.71 17.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.447 -179.241 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.589 ' NE1' HD13 ' A' ' 39' ' ' LEU . 11.2 m95 -70.34 119.53 14.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.783 179.412 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.663 ' HB3' HD21 ' A' ' 58' ' ' LEU . 20.4 tp10 -109.55 130.85 22.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.32 -179.04 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.639 ' HB3' ' HD3' ' A' ' 35' ' ' LYS . 11.8 Cg_endo -55.32 140.0 81.65 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.718 2.279 . . . . 0.0 112.062 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 58' ' ' LEU . 4.5 tm-20 -53.35 -35.28 60.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.413 -179.503 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -51.37 -49.46 61.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.468 ' OD1' ' HG2' ' A' ' 54' ' ' PRO . 29.4 m120 -71.05 -36.74 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.042 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 53' ' ' GLU . 23.8 mt -52.38 129.37 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.398 -179.189 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -117.58 45.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' B' ' 6' ' ' THR . 24.7 p -160.26 62.1 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.084 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' PRO . . . . . 0.792 ' HA ' HD13 ' A' ' 64' ' ' ILE . 61.9 Cg_exo -51.84 -24.94 19.81 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' CG ' HE22 ' B' ' 5' ' ' GLN . 1.6 m-20 -53.15 -39.13 63.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.716 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 25' ' ' LYS . 81.6 mt -69.38 -40.38 77.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.717 0.294 . . . . 0.0 110.392 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.792 HD13 ' HA ' ' A' ' 61' ' ' PRO . 2.4 mp -57.68 -47.6 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.744 179.167 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.44 -41.42 96.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.272 179.078 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -55.55 -39.32 70.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.577 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 20.1 t80 -58.09 -56.94 15.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.653 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.5 mp -60.5 -42.97 97.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.496 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 37.0 mt-30 -52.65 -38.91 61.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 110.115 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.4 t -63.5 -44.15 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.076 179.155 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -82.64 38.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.168 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.531 ' NZ ' ' HB3' ' A' ' 72' ' ' LYS . 6.5 ttpm? -61.95 119.71 9.36 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.427 HG22 ' HG2' ' A' ' 72' ' ' LYS . 9.0 t 38.3 36.86 0.13 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.498 0.499 . . . . 0.0 110.95 -179.345 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.17 124.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.119 -179.464 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -63.45 -40.22 96.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.57 ' HG3' HG23 ' A' ' 77' ' ' THR . 45.3 tp10 -171.44 139.17 1.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.601 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.57 HG23 ' HG3' ' A' ' 76' ' ' GLU . 80.6 p 50.77 -139.22 0.95 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 -179.816 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -173.59 -36.81 0.01 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.548 0.213 . . . . 0.0 111.371 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.588 ' NZ ' ' HB2' ' A' ' 79' ' ' LYS . 10.1 mtmp? 59.45 46.35 12.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.914 179.944 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' B' ' 3' ' ' THR . . . . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.296 0.093 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.738 ' HB3' ' NH1' ' B' ' 2' ' ' ARG . 0.1 OUTLIER 73.7 -35.23 0.31 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 122.627 0.371 . . . . 0.0 111.275 179.896 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 3' ' ' THR . . . . . 0.464 ' OG1' ' HD2' ' B' ' 2' ' ' ARG . 97.3 m -162.53 140.92 8.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.673 0.273 . . . . 0.0 110.796 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.568 ' HD2' ' N ' ' B' ' 4' ' ' MLY . . . . . . . . 0 CA--C 1.531 0.232 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.259 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.434 HE22 ' CG ' ' A' ' 62' ' ' ASP . 38.2 mm-40 -63.47 130.1 42.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.194 -179.328 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 22' ' ' VAL . 37.8 p -155.98 140.73 17.06 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.581 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.868 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -135.04 120.44 19.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.159 178.891 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.512 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 83.9 mtm180 -80.02 127.28 32.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.449 -179.327 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.405 ' HD3' HH12 ' B' ' 9' ' ' MLY . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 179.243 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 47.7 t -56.28 118.37 4.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.746 0.308 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -154.89 -42.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.43 135.99 47.29 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.642 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.82 -127.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.711 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -163.99 -39.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.89 136.04 1.93 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.77 -42.3 20.72 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.538 2.159 . . . . 0.0 112.576 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.3 45.18 94.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.362 -179.961 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.7 m80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.905 0.384 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.7 ttt -66.66 -42.87 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.1 m -65.99 -160.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.293 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -78.69 127.56 32.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.991 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 37.65 -147.71 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.646 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -96.6 133.82 36.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.968 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 15' ' ' GLU . 2.9 tm? -68.34 133.67 49.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.5 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.634 ' N ' HD13 ' A' ' 14' ' ' LEU . 16.6 pt-20 -170.26 132.68 1.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 16.1 tp10 -71.69 -120.7 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.769 -179.735 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 39.6 tt0 -169.9 132.26 1.11 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.646 0.26 . . . . 0.0 110.813 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 42.92 43.22 3.44 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.591 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 89.1 tt0 -94.63 151.72 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.049 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' B' ' 6' ' ' THR . 52.4 mt-10 -74.15 135.05 42.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.571 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.568 ' CD2' HH22 ' B' ' 9' ' ' MLY . 7.2 m-85 -124.88 139.49 53.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.411 . . . . 0.0 111.484 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.18 144.65 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.158 179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.818 HG21 HD23 ' A' ' 40' ' ' LEU . 5.9 p -153.11 128.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.479 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.78 -52.65 14.17 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -172.96 146.11 1.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.146 -0.221 . . . . 0.0 111.507 -178.483 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.634 HG12 ' HG ' ' A' ' 40' ' ' LEU . 25.2 m -63.66 135.47 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 41' ' ' LYS . 94.0 mt -76.17 -23.78 54.74 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.252 179.601 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 30.2 t0 -174.67 -145.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.52 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.499 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 74.2 ttt180 -168.47 139.89 2.7 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.094 -179.026 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.482 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.1 ptm180 -155.41 150.05 26.28 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.077 0.465 . . . . 0.0 111.964 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -121.05 127.37 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.376 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.677 HG23 ' HG2' ' A' ' 33' ' ' LYS . 33.6 m -92.87 -42.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 111.674 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.677 ' HG2' HG23 ' A' ' 32' ' ' VAL . 24.3 pttm -170.11 50.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.242 0.544 . . . . 0.0 109.77 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.25 -27.35 15.93 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -178.507 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HB2' HG22 ' A' ' 32' ' ' VAL . 30.0 mmmt -64.42 153.06 39.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.542 -0.329 . . . . 0.0 110.362 179.405 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.597 HG12 ' CE1' ' A' ' 38' ' ' TYR . 3.3 t -124.42 70.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.218 -179.335 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.1 pt-20 -88.02 131.4 34.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.088 0.47 . . . . 0.0 111.658 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.597 ' CE1' HG12 ' A' ' 36' ' ' VAL . 50.8 m-85 -113.7 144.69 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.968 179.485 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HG ' HD12 ' A' ' 27' ' ' LEU . 21.2 tp -87.48 149.77 24.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 23' ' ' VAL . 4.2 mp -148.16 137.46 22.11 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.905 -179.279 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 27' ' ' LEU . 17.0 tppt? -83.72 72.62 10.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.074 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.691 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 59.2 m95 -55.33 133.44 49.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.209 0.528 . . . . 0.0 111.708 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' NZ ' HH21 ' B' ' 4' ' ' MLY . 86.4 tttt -67.55 142.82 56.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.742 -179.511 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.86 -45.8 2.79 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.645 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CE2' HH21 ' B' ' 9' ' ' MLY . 5.7 m-85 -74.79 135.8 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.474 ' HB2' ' OE2' ' A' ' 48' ' ' GLU . 51.7 m -55.68 150.42 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.411 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 2.5 p30 -54.92 -39.7 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' A' ' 46' ' ' SER . 1.1 pp20? -62.41 -29.27 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.59 -29.61 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.653 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 82.1 m-20 -43.48 141.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 -179.322 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -142.76 131.47 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.952 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.7 m95 -66.79 140.89 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.786 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.828 ' HG3' HD21 ' A' ' 58' ' ' LEU . 5.1 pt-20 -141.74 141.76 23.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -178.141 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.507 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 10.9 Cg_endo -54.25 139.62 72.7 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.147 2.565 . . . . 0.0 112.658 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.8 tt0 -58.8 -24.67 62.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.922 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -57.95 -51.65 68.77 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -69.44 -34.43 74.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.543 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.828 HD21 ' HG3' ' A' ' 53' ' ' GLU . 7.7 mt -54.49 125.43 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.791 -178.477 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.85 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 32.7 t70 -107.38 44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.286 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.0 p -164.09 60.67 0.86 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.47 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.6 -24.23 35.85 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.604 2.203 . . . . 0.0 111.877 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.598 ' HB2' ' NE2' ' B' ' 5' ' ' GLN . 1.5 m-20 -52.77 -38.58 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.798 HD21 ' HG3' ' B' ' 5' ' ' GLN . 50.7 mt -66.64 -46.35 76.06 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 179.807 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.476 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 86.3 mt -55.55 -48.12 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.494 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.593 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -66.02 -39.56 90.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.964 178.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -58.59 -42.56 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.673 179.637 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.2 t80 -63.72 -45.05 91.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.436 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 73.9 mt -65.04 -39.75 93.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.687 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.3 mm-40 -53.97 -35.92 62.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.305 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -55.4 -51.51 66.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -76.39 -53.93 7.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 73' ' ' THR . 23.7 ttmm 53.04 53.79 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.568 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 76.7 m 75.57 -54.8 0.63 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.525 -179.188 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.2 -131.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.03 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -174.59 127.32 0.32 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.789 0.328 . . . . 0.0 110.617 179.362 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -152.39 -41.06 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 78' ' ' ASP . 15.3 t 41.09 -142.42 0.07 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.434 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.475 ' N ' HG23 ' A' ' 77' ' ' THR . 63.2 t0 -173.68 51.82 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.036 0.446 . . . . 0.0 110.451 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.803 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -55.79 129.76 40.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.861 -179.713 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.401 ' H ' ' NZ ' ' A' ' 79' ' ' LYS . 40.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.46 -37.94 89.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -163.93 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.5 -179.692 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' MLY . . . . . 0.54 ' HG3' HH13 ' B' ' 4' ' ' MLY . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.048 0.451 . . . . 0.0 111.616 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.798 ' HG3' HD21 ' A' ' 63' ' ' LEU . 10.7 mm100 -84.35 137.49 33.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.6 179.434 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 34.6 p -138.66 121.56 16.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.85 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -91.28 -15.74 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' B' ' 8' ' ' ARG . 46.6 ttm-85 73.04 -15.8 0.5 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.791 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.568 HH22 ' CD2' ' A' ' 21' ' ' TYR . . . . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.839 -179.694 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 39.8 t -166.41 41.03 0.05 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.91 0.386 . . . . 0.0 111.129 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 89.8 m -73.06 -52.11 15.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.805 179.637 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.86 -147.31 20.55 Favored Glycine 0 C--N 1.33 0.238 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.773 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.06 133.07 1.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.472 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -175.56 132.21 0.28 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.792 0.33 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 133.35 88.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' PRO . . . . . 0.413 ' HB2' ' H ' ' B' ' 17' ' ' GLY . 69.2 Cg_endo -72.66 -137.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.539 2.16 . . . . 0.0 112.161 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 17' ' ' GLY . . . . . 0.413 ' H ' ' HB2' ' B' ' 16' ' ' PRO . . . -64.44 -45.73 92.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.305 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.524 179.886 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.586 0.231 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.8 mtt -62.83 -46.98 85.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 110.633 179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.401 ' HB ' ' H ' ' A' ' 11' ' ' GLU . 20.8 m -150.14 -141.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.587 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' H ' ' HB ' ' A' ' 10' ' ' VAL . 45.0 tp10 64.52 136.05 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.1 0.476 . . . . 0.0 111.419 179.848 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -172.72 -45.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.48 149.65 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.797 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.0 mt -49.11 132.27 19.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -75.91 32.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.893 -179.267 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.46 120.41 24.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.563 179.261 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 177.73 144.34 0.11 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG2' ' H ' ' A' ' 18' ' ' GLU . 5.8 pt-20 -62.81 -112.59 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.57 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.4 tt0 58.63 144.09 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.203 0.525 . . . . 0.0 112.295 179.041 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.553 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 1.3 mp0 -68.81 77.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.353 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -61.07 140.58 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.563 ' HA ' HG22 ' B' ' 6' ' ' THR . 40.8 t -55.64 142.85 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.674 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.99 HG11 HD23 ' A' ' 40' ' ' LEU . 95.3 t -138.66 133.48 42.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.8 179.731 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.99 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HD3' HD22 ' A' ' 63' ' ' LEU . 46.3 mmtm -156.57 144.51 19.46 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 111.489 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' A' ' 67' ' ' PHE . 6.5 t -64.89 117.93 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.716 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 7.5 mp -75.22 -59.46 2.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 38.5 t70 -164.06 150.59 11.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 29' ' ' ARG . 36.2 ptt85 -112.83 148.01 35.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.817 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.564 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.22 147.23 23.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.013 0.435 . . . . 0.0 112.061 -179.351 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 35' ' ' LYS . 39.0 t -108.72 133.31 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.023 178.817 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.742 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -80.85 -37.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.941 0.401 . . . . 0.0 111.62 -179.428 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HG2' HG23 ' A' ' 32' ' ' VAL . 18.4 ptpt -165.91 -30.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.3 0.572 . . . . 0.0 110.015 -179.769 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.39 -17.47 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.426 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.545 ' O ' HG13 ' A' ' 31' ' ' VAL . 12.8 mmmm -71.95 -161.83 0.08 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 6.4 t -153.71 137.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.179 179.407 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.648 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 16.7 pt-20 -152.15 132.43 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.205 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 5.1 m-85 -114.37 143.92 44.11 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.615 -179.708 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.886 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.48 134.41 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.746 179.285 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.99 HD23 HG11 ' A' ' 23' ' ' VAL . 6.4 mp -140.87 132.41 27.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.566 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.674 ' HB2' HD11 ' A' ' 27' ' ' LEU . 48.0 tptt -79.06 107.05 11.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.494 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.6 m95 -81.18 131.79 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 111.004 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -70.56 144.6 51.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.453 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.27 -50.25 3.95 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.11 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' CE2' HH12 ' B' ' 9' ' ' MLY . 2.0 m-85 -62.65 145.38 54.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.616 0.246 . . . . 0.0 110.655 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.493 ' OG ' ' HB2' ' A' ' 49' ' ' ASP . 78.9 p -48.93 144.96 4.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.537 ' HB3' ' HZ1' ' A' ' 41' ' ' LYS . 27.6 m-20 -55.21 -45.29 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.406 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.83 -19.31 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.476 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 54.3 t0 -75.23 41.52 0.18 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.114 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.652 ' HB3' HD21 ' A' ' 39' ' ' LEU . 88.1 m-20 -64.96 139.19 58.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.494 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 87.6 m -138.41 130.85 28.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.956 0.408 . . . . 0.0 111.556 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.733 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 11.9 m95 -95.46 128.93 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.305 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.648 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 42.8 mt-10 -95.41 144.81 28.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.584 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 56.0 Cg_endo -71.15 35.14 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.565 2.177 . . . . 0.0 114.246 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.561 ' C ' HD23 ' A' ' 58' ' ' LEU . 42.5 tt0 67.01 -35.13 0.24 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 178.611 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 23.0 pt-20 -71.21 -50.83 28.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 32.8 m120 -59.59 -20.29 54.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.304 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD23 ' C ' ' A' ' 55' ' ' GLU . 0.9 OUTLIER -52.54 146.13 10.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.017 0.437 . . . . 0.0 111.373 -179.458 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.526 ' OD2' ' HG3' ' B' ' 8' ' ' ARG . 56.2 m-20 -151.55 46.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.097 179.564 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.537 ' HB2' ' HB2' ' B' ' 5' ' ' GLN . 25.4 p -145.06 62.17 8.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.537 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.86 -38.85 58.46 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.853 2.369 . . . . 0.0 112.351 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' B' ' 5' ' ' GLN . 2.2 p30 -60.3 -41.94 94.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.08 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 25' ' ' LYS . 42.0 mt -70.82 -45.01 65.35 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.775 0.321 . . . . 0.0 110.695 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.6 mt -52.98 -43.54 47.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.34 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.55 -41.01 93.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 27.4 t80 -62.39 -45.43 93.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.624 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.1 mt -76.1 -37.71 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -57.54 -39.88 77.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.5 t -59.41 -49.75 76.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.297 -179.742 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -61.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.288 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.3 tptt 53.83 -113.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.078 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.7 m -61.47 -39.68 91.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.883 0.373 . . . . 0.0 110.61 179.43 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -169.18 -46.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -174.89 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 77' ' ' THR . 22.9 pt-20 -58.03 -37.66 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 76' ' ' GLU . 14.3 t 50.39 130.41 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 O-C-N 124.138 0.899 . . . . 0.0 112.86 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -173.44 130.13 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.701 179.711 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -176.46 47.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.491 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.87 -179.896 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -171.89 133.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 91.1 m -65.85 121.9 16.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.788 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 179.965 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.537 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 5.2 pm0 -48.53 138.44 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.311 179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 22' ' ' VAL . 30.0 p -148.72 -157.61 0.83 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.091 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.419 ' HB1' ' OE1' ' A' ' 53' ' ' GLU . . . 178.66 129.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.576 179.715 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 84.9 mtm180 -70.92 140.74 51.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.929 -179.388 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 9' ' ' MLY . . . . . 0.502 ' C ' ' H ' ' B' ' 11' ' ' THR . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.185 179.162 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 39.2 t -74.91 36.11 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.557 -179.592 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.502 ' H ' ' C ' ' B' ' 9' ' ' MLY . 89.8 m -95.54 -47.4 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.783 0.325 . . . . 0.0 111.046 179.655 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.5 -137.28 42.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.517 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' B' ' 14' ' ' LYS . . . 179.89 -136.44 2.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.415 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.523 ' NZ ' ' HB3' ' B' ' 14' ' ' LYS . 6.5 ttpm? 73.36 -36.67 0.36 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.736 0.415 . . . . 0.0 111.659 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' B' ' 13' ' ' GLY . . . 66.25 134.6 0.04 OUTLIER Pre-proline 0 N--CA 1.462 0.17 0 CA-C-O 120.8 0.333 . . . . 0.0 111.646 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.17 137.43 47.91 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.542 2.161 . . . . 0.0 112.272 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.61 135.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.459 -1.189 . . . . 0.0 112.684 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.626 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.1 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.28 69.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.249 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.626 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 6.2 m-85 -61.44 138.42 58.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.688 0.28 . . . . 0.0 110.507 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.0 t -55.81 134.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' B' ' 7' ' ' ALA . 58.3 t -117.33 131.38 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -76.79 -53.94 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp 177.87 142.64 0.1 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.028 HG12 HD21 ' A' ' 40' ' ' LEU . 2.4 m -65.81 129.7 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' HG ' ' A' ' 39' ' ' LEU . 5.6 mp -78.46 -42.71 29.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.792 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.452 ' HB2' ' CH2' ' A' ' 52' ' ' TRP . 55.2 m-20 -153.67 -146.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.994 0.426 . . . . 0.0 112.104 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' A' ' 29' ' ' ARG . 43.9 ttp85 -168.44 131.85 1.51 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.561 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.453 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.3 ptt180 -155.48 136.61 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.96 0.409 . . . . 0.0 111.434 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 35' ' ' LYS . 43.7 t -106.66 143.56 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.714 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.769 HG22 ' HG3' ' A' ' 33' ' ' LYS . 3.7 p -151.2 134.29 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.228 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.769 ' HG3' HG22 ' A' ' 32' ' ' VAL . 52.9 mttm 76.05 -37.15 0.3 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.66 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 144.92 -11.65 1.88 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.689 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 18.7 ptmt -79.74 -157.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.049 0.452 . . . . 0.0 111.244 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.674 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 46.3 t -148.7 138.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.6 130.61 11.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 111.528 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -115.18 130.05 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.083 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.626 ' HG ' HD13 ' A' ' 27' ' ' LEU . 9.8 tp -62.24 139.81 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.028 HD21 HG12 ' A' ' 26' ' ' VAL . 93.4 mt -143.88 130.55 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -83.57 123.42 29.75 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.25 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 21.6 m95 -101.12 131.75 46.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 5.0 ttmp? -66.2 144.92 56.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.527 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.19 -49.19 3.73 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.781 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.09 139.54 44.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -54.49 144.14 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -55.26 -31.4 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -58.21 -30.1 66.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.42 41.66 0.25 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.714 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.435 ' HA ' HD22 ' A' ' 50' ' ' ASN . 4.9 m120 -70.52 143.09 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 111.218 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 t -158.31 121.16 3.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.204 0.526 . . . . 0.0 110.887 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.455 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.7 m95 -77.34 112.3 13.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.483 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.639 ' HB2' HD21 ' A' ' 58' ' ' LEU . 50.2 mm-40 -95.25 146.11 30.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.469 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.674 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.5 Cg_endo -57.14 135.1 68.5 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.452 2.101 . . . . 0.0 111.862 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 38.6 tt0 -54.37 -42.55 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.562 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 11.7 pt-20 -55.03 -43.42 73.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.531 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m120 -66.08 -37.67 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 53' ' ' GLU . 15.1 mt -57.53 129.01 39.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -110.9 50.0 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.745 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' B' ' 5' ' ' GLN . 25.7 p -152.4 62.32 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.018 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.07 -33.13 82.5 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.609 2.206 . . . . 0.0 112.144 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.572 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 55.8 mt -63.71 -42.95 97.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.499 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.781 HD13 HG11 ' A' ' 26' ' ' VAL . 48.5 mm -55.03 -54.9 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -54.9 -36.55 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.578 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 9.8 tm-20 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.3 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.9 t80 -70.61 -52.39 21.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.092 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.1 mm? -73.07 -17.85 61.38 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 111.417 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 52.4 tt0 -58.93 -37.61 77.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.446 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 p -80.19 -45.02 18.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.933 0.397 . . . . 0.0 111.295 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.317 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.572 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mp0 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.999 0.428 . . . . 0.0 111.763 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.4 p -150.04 144.14 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.686 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -136.77 127.81 27.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.41 HH11 ' HG2' ' B' ' 8' ' ' ARG . 69.7 mtt-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.325 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 8' ' ' ARG . 67.8 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.761 0.315 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 56.6 mp0 -80.29 135.65 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -125.43 139.05 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -59.08 143.81 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.516 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.962 HG21 HD23 ' A' ' 40' ' ' LEU . 6.4 p -143.13 133.14 21.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.059 0.457 . . . . 0.0 111.296 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -78.33 -54.23 6.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.141 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.666 ' HA ' HD23 ' A' ' 63' ' ' LEU . 87.1 tttt -172.62 146.04 1.63 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.676 0.274 . . . . 0.0 111.437 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.609 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 20.4 m -68.22 137.14 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 111.704 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.708 HD13 ' HG ' ' A' ' 39' ' ' LEU . 5.5 mp -83.52 -23.76 31.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.843 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.3 t70 179.95 -149.35 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.832 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.502 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.7 ptt180 -168.67 142.37 3.06 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.5 ptm180 -155.11 128.87 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.024 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 23.0 t -78.13 142.26 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.299 0.571 . . . . 0.0 111.742 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.403 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 34.9 m -147.07 135.39 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.016 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.496 ' NZ ' ' HD2' ' A' ' 35' ' ' LYS . 22.5 pttp 44.28 37.62 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.857 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.99 -32.42 4.34 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.826 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HD2' ' NZ ' ' A' ' 33' ' ' LYS . 63.6 mttp -90.47 131.06 36.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 112.0 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 12.1 p -81.58 140.87 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.435 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 12.7 pt-20 -128.82 127.63 42.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 29' ' ' ARG . 7.8 m-85 -100.21 143.89 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 40' ' ' LEU . 8.3 tp -82.94 142.64 31.26 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.962 HD23 HG21 ' A' ' 23' ' ' VAL . 6.5 mp -134.34 131.64 38.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HB2' HD11 ' A' ' 27' ' ' LEU . 56.0 tptt -77.11 74.49 3.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.856 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 67.4 m95 -56.09 124.52 18.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 0.0 111.529 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -65.16 141.62 58.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.554 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.73 -43.06 2.33 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.282 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.433 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 1.5 m-85 -69.19 138.17 53.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -56.82 152.97 11.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -51.95 -45.33 64.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.716 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.37 -34.25 77.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.433 ' OD1' ' HD2' ' A' ' 45' ' ' PHE . 9.8 t70 -62.0 -25.72 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.401 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.677 ' HB3' HD11 ' A' ' 39' ' ' LEU . 77.1 m-20 -42.83 136.06 2.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.959 0.409 . . . . 0.0 110.723 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.3 m -131.29 146.85 52.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.892 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.557 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.4 m95 -89.77 122.78 33.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.488 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.67 ' HB2' HD21 ' A' ' 58' ' ' LEU . 11.7 mp0 -106.96 151.75 40.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.959 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 36.1 Cg_exo -56.88 133.04 55.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.163 1.908 . . . . 0.0 111.428 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HG3' HD13 ' A' ' 64' ' ' ILE . 41.7 tt0 -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.009 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.58 -44.2 87.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 4.1 m120 -64.06 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.751 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 53' ' ' GLU . 11.9 mt -54.37 128.77 33.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.061 0.457 . . . . 0.0 111.961 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' B' ' 6' ' ' THR . 62.9 t0 -107.54 44.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.777 ' HB2' HD13 ' A' ' 63' ' ' LEU . 26.2 p -149.43 61.62 5.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.838 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.97 -29.16 26.39 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.597 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 36.6 t70 -57.06 -45.89 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.557 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.777 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -67.16 -46.78 72.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.712 0.291 . . . . 0.0 111.228 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.614 ' O ' HD13 ' A' ' 68' ' ' LEU . 69.4 mt -55.12 -39.99 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.991 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.97 79.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 69.5 mm-40 -60.55 -42.23 96.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.264 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.603 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 37.8 t80 -56.4 -53.66 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 64' ' ' ILE . 4.5 mp -67.44 -37.64 83.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.216 0.531 . . . . 0.0 109.976 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -55.36 -37.43 67.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.661 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.3 m -66.22 -46.4 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.045 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.35 -178.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.523 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.025 0.44 . . . . 0.0 111.928 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 25.0 p -158.13 152.05 23.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.395 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.856 ' HB3' ' HH2' ' A' ' 42' ' ' TRP . . . -147.28 131.6 17.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 52.5 mtm-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.747 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 . . . . . 0 N--CA 1.461 0.099 0 CA-C-O 121.051 0.453 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB3' ' CB ' ' B' ' 6' ' ' THR . 50.3 mt-10 -74.82 66.34 1.5 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.285 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -62.7 139.28 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -58.33 143.67 12.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.566 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.426 HG11 HD22 ' A' ' 40' ' ' LEU . 60.0 t -135.74 125.31 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.254 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -78.74 -47.61 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.866 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.662 ' HA ' HD13 ' A' ' 63' ' ' LEU . 52.2 tptt -175.47 138.38 0.4 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.369 0.604 . . . . 0.0 111.744 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.767 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.3 t -59.83 131.46 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.6 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.804 HD12 ' HG ' ' A' ' 39' ' ' LEU . 91.8 mt -88.83 -37.84 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.505 ' HB3' ' CH2' ' A' ' 52' ' ' TRP . 29.7 t0 -175.76 -157.89 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.646 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.49 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 37.8 ptt180 -169.14 144.73 3.27 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.6 ptt180 -155.02 129.72 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 35' ' ' LYS . 85.8 t -73.62 135.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.479 HG22 ' OE2' ' A' ' 37' ' ' GLU . 43.5 t -88.84 -42.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.41 ' H ' ' H ' ' A' ' 34' ' ' GLY . 21.6 ptmt -170.62 -15.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.012 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' A' ' 33' ' ' LYS . . . -166.36 -36.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.561 ' N ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -88.49 -159.96 0.6 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.535 HG23 ' OE2' ' A' ' 55' ' ' GLU . 1.8 t -150.12 109.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.66 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.1 pt-20 -88.82 126.06 35.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 8.5 m-85 -106.47 129.99 54.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.439 . . . . 0.0 111.778 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.804 ' HG ' HD12 ' A' ' 27' ' ' LEU . 26.1 tp -72.15 145.76 47.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 26' ' ' VAL . 82.2 mt -144.07 132.65 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.226 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HB2' HD21 ' A' ' 27' ' ' LEU . 17.3 tppt? -83.06 66.55 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.097 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 42.2 m95 -47.54 132.92 13.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.44 140.72 58.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.38 -38.15 2.05 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.85 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.9 m-85 -72.0 132.76 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.216 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB3' ' OD1' ' A' ' 49' ' ' ASP . 47.3 t -65.98 162.9 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.781 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.476 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 63.7 t0 -50.95 -42.35 59.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.39 -36.55 84.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.512 ' OD1' ' HB3' ' A' ' 46' ' ' SER . 1.3 m-20 -59.48 -29.31 67.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.793 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 85.2 m-20 -47.52 145.77 2.43 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.91 0.386 . . . . 0.0 111.197 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 t -154.03 146.77 24.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.644 ' NE1' HD13 ' A' ' 39' ' ' LEU . 5.2 m95 -88.77 144.9 25.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.229 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.873 ' HG2' HD21 ' A' ' 58' ' ' LEU . 4.3 pm0 -151.27 151.61 29.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.297 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.554 ' HG2' HD22 ' A' ' 57' ' ' ASN . 6.7 Cg_endo -48.09 135.47 24.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.062 2.508 . . . . 0.0 112.545 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.535 ' OE2' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -59.37 -33.61 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.447 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.78 -51.73 9.14 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.365 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.644 ' HB3' ' HB2' ' B' ' 8' ' ' ARG . 75.8 m-80 -67.87 -38.46 83.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.873 HD21 ' HG2' ' A' ' 53' ' ' GLU . 12.1 mt -58.73 126.66 28.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.875 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.95 46.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.597 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.544 ' O ' HG13 ' A' ' 64' ' ' ILE . 26.7 p -122.8 56.78 8.95 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.794 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.69 -36.45 91.9 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.144 1.896 . . . . 0.0 111.812 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.29 -48.0 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.391 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 25' ' ' LYS . 21.4 mt -66.7 -41.95 87.21 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.873 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 60' ' ' CYS . 82.1 mt -55.53 -41.73 65.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 110.066 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.569 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -62.83 -46.09 89.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.226 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.491 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 95.3 mt-10 -60.66 -37.59 82.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.54 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -62.27 -48.97 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.303 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 60.4 mt -64.46 -34.61 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.776 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 74.7 mt-30 -51.36 -35.37 38.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.286 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.2 t -55.73 -52.54 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.642 179.802 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.561 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 4.0 tp-100 . . . . . 0 N--CA 1.457 -0.096 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.46 ' CB ' ' HB3' ' A' ' 20' ' ' GLU . 69.2 p -132.68 154.55 50.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -162.06 132.31 4.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.69 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.644 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.332 -0.176 0 CA-C-O 120.713 0.292 . . . . 0.0 110.947 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.826 0.346 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 94.2 mt-10 -79.7 136.34 36.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -122.82 136.96 55.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.565 ' HB ' ' HD2' ' A' ' 43' ' ' LYS . 38.3 t -55.23 140.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.764 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' H ' ' B' ' 7' ' ' ALA . 58.9 t -139.88 129.09 28.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.487 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 89.1 tt0 -82.95 -58.81 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.587 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.584 ' HE2' ' OE1' ' A' ' 66' ' ' GLU . 5.0 mmmp? -159.39 139.55 11.97 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.264 0.555 . . . . 0.0 111.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.753 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.2 t -60.43 128.67 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.917 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 41' ' ' LYS . 86.2 mt -84.64 -39.11 19.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.025 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 45.4 m-20 -161.3 -153.06 0.28 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.361 0.6 . . . . 0.0 112.54 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 68.6 ttt180 -168.44 134.58 1.87 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.018 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 8.9 ptp180 -154.77 142.23 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 111.859 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 36' ' ' VAL . 13.3 t -114.12 137.81 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.974 177.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.5 p -161.94 132.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.167 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 32' ' ' VAL . 24.4 ttmm 71.64 20.77 4.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.321 0.582 . . . . 0.0 109.463 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.26 -19.43 13.45 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.026 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -87.12 155.34 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.068 0.461 . . . . 0.0 110.98 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 22.0 t -108.14 141.24 23.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.049 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -148.61 132.61 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.04 0.448 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 64' ' ' ILE . 15.3 m-85 -111.75 135.47 52.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.709 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.672 HD13 ' NE1' ' A' ' 52' ' ' TRP . 29.6 tp -74.52 147.54 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.753 HD23 ' HA ' ' A' ' 26' ' ' VAL . 90.7 mt -142.7 135.47 28.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.851 ' HB2' HD21 ' A' ' 27' ' ' LEU . 23.4 tptm -84.3 69.19 10.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.225 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.697 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 27.2 m95 -51.35 137.96 22.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.261 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -59.22 135.14 57.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.364 -179.412 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.76 -34.07 1.42 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.712 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.697 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.3 m-85 -72.35 128.49 35.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 111.369 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -78.52 -166.02 0.8 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.63 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 1.5 m-20 -61.33 -50.32 73.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.27 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.89 -42.14 99.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.477 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 1.3 m-20 -60.43 -33.77 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.793 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.63 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 82.0 m-20 -51.24 145.29 8.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.958 0.409 . . . . 0.0 111.31 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.6 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 7.8 t -145.52 131.36 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.763 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.672 ' NE1' HD13 ' A' ' 39' ' ' LEU . 9.4 m95 -72.52 126.47 29.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' HG2' ' HZ2' ' A' ' 42' ' ' TRP . 67.3 mm-40 -106.16 143.25 26.55 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.31 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.615 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 35.8 Cg_exo -58.42 142.92 98.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.328 2.019 . . . . 0.0 111.859 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -49.24 -38.21 25.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.622 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -73.95 -44.14 55.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -59.54 -60.62 3.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -57.14 144.75 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.042 0.449 . . . . 0.0 111.81 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.719 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 39.0 t70 -114.49 53.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.529 ' O ' HG13 ' A' ' 64' ' ' ILE . 62.7 m -128.11 58.24 32.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 31.9 Cg_exo -58.34 -42.62 54.05 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.393 2.062 . . . . 0.0 112.39 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.642 ' H ' HE22 ' B' ' 5' ' ' GLN . 1.3 m-20 -60.09 -43.6 95.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.405 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.436 ' HG ' ' OE1' ' B' ' 5' ' ' GLN . 48.0 mt -68.4 -40.31 81.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 58' ' ' LEU . 92.1 mt -57.56 -46.92 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.57 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.97 -42.66 84.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.276 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.584 ' OE1' ' HE2' ' A' ' 25' ' ' LYS . 39.8 tt0 -60.41 -36.41 78.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.2 t80 -64.63 -49.45 71.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.053 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 68.2 mt -61.51 -33.74 74.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.463 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 87.1 mt-30 -52.7 -39.26 61.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.3 m -64.84 -36.01 82.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.619 -179.846 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.642 HE22 ' H ' ' A' ' 62' ' ' ASP . 81.4 mt-30 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.695 0.283 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.629 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 67.2 p -104.72 124.23 49.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.719 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -97.28 135.71 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.903 0.382 . . . . 0.0 110.738 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.604 -179.442 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.2 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.701 0.286 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -76.62 130.22 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.479 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 4.7 m-85 -116.18 140.55 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.803 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.0 t -57.43 135.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.32 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.729 HG11 HD12 ' A' ' 40' ' ' LEU . 65.6 t -118.33 133.48 65.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 38.3 tt0 -77.2 -53.78 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HA ' HD13 ' A' ' 63' ' ' LEU . 38.9 ttpt -178.29 135.89 0.16 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.232 0.539 . . . . 0.0 111.214 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.12 132.61 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.106 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.781 HD13 ' HG ' ' A' ' 39' ' ' LEU . 4.9 mp -91.79 -37.42 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.93 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.463 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.7 t70 179.56 159.84 0.74 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 8.0 ptm180 -96.89 162.46 13.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 74.1 ttt180 -153.68 162.06 41.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.798 0.333 . . . . 0.0 111.591 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 35' ' ' LYS . 73.4 t -147.56 139.03 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.404 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.684 HG23 ' HG2' ' A' ' 33' ' ' LYS . 27.3 m -105.51 -42.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.684 ' HG2' HG23 ' A' ' 32' ' ' VAL . 24.2 pttm -167.9 48.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.452 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.72 -33.87 5.28 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.71 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 31' ' ' VAL . 56.2 mtpt -70.86 -155.78 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.296 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 11.0 p -171.78 130.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.58 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' A' ' 30' ' ' ARG . 13.9 pt-20 -130.32 126.42 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.192 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 41.9 m-85 -100.05 148.65 24.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.663 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.781 ' HG ' HD13 ' A' ' 27' ' ' LEU . 8.9 tp -90.62 140.77 29.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.781 ' H ' HD12 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -131.92 136.09 47.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.37 -179.417 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 2.9 tmtp? -85.51 70.63 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.688 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 40.7 m95 -49.53 136.2 17.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.658 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -69.18 150.84 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.45 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.43 -40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.987 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.645 ' HD2' ' HB3' ' A' ' 49' ' ' ASP . 17.5 m-85 -77.09 -140.1 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.41 -0.116 . . . . 0.0 110.979 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 80.6 p -165.16 -166.02 0.96 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.621 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.1 m-20 -65.67 -46.91 77.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.674 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.1 pt-20 -68.51 -36.84 79.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.278 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.645 ' HB3' ' HD2' ' A' ' 45' ' ' PHE . 1.4 m-20 -71.45 -38.69 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.688 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 20.4 p30 -51.15 147.96 4.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 111.876 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.571 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 8.4 t -138.2 152.97 49.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.469 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.533 ' CZ3' ' HB2' ' A' ' 30' ' ' ARG . 6.5 m95 -86.75 128.71 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.433 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' B' ' 8' ' ' ARG . 15.2 mp0 -110.54 142.47 26.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.6 Cg_exo -61.58 147.09 96.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.492 2.128 . . . . 0.0 111.487 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -48.9 -36.47 17.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.218 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.26 -43.5 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.552 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -62.7 -54.35 40.57 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.452 ' C ' HD12 ' A' ' 58' ' ' LEU . 3.3 pp -62.65 -167.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.908 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -172.07 56.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.226 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 26.0 p -135.73 58.37 23.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.134 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 51.4 Cg_exo -54.3 -38.62 88.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.598 2.198 . . . . 0.0 112.449 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.554 ' H ' ' NE2' ' B' ' 5' ' ' GLN . 1.5 m-20 -58.29 -46.61 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.03 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HG ' ' HG3' ' B' ' 5' ' ' GLN . 25.9 mt -67.23 -41.53 85.53 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.903 0.382 . . . . 0.0 110.153 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 38' ' ' TYR . 81.9 mt -56.66 -40.54 70.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.169 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -67.94 -44.09 77.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.7 mt-10 -57.89 -35.55 71.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.459 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 28' ' ' ASP . 31.7 t80 -60.85 -49.93 75.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.155 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.7 mt -64.77 -39.94 94.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 26.5 mt-30 -54.99 -39.37 68.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.401 . . . . 0.0 110.713 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.2 m -58.37 -44.62 88.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.86 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.576 -179.229 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.554 ' NE2' ' H ' ' A' ' 62' ' ' ASP . 8.5 mm100 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.151 0.5 . . . . 0.0 112.234 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.522 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 42.3 p -153.19 119.61 5.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.892 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.482 ' H ' HG23 ' A' ' 23' ' ' VAL . . . -101.37 127.54 47.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.886 0.374 . . . . 0.0 110.67 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.618 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 41.1 mtt85 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.121 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 96.1 mt-10 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.786 0.327 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 41.7 mt-10 -77.95 134.59 37.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.508 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 10.2 m-85 -127.05 136.94 52.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.836 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.511 ' HA ' HG22 ' B' ' 6' ' ' THR . 61.9 t -57.77 138.37 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.9 HG11 HD23 ' A' ' 40' ' ' LEU . 25.5 t -133.08 135.72 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.59 -54.91 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.002 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.796 ' HA ' HD22 ' A' ' 63' ' ' LEU . 38.1 ttpt -177.24 142.78 0.36 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.143 0.496 . . . . 0.0 112.171 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -64.17 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.55 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.2 mm? -94.36 -43.12 8.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.2 m-20 -157.59 -148.73 0.21 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -167.99 131.54 1.63 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.905 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.469 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 41.2 ptt180 -155.98 139.74 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 35' ' ' LYS . 58.0 t -102.51 128.51 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' HG2' ' A' ' 33' ' ' LYS . 35.8 m -93.64 -40.64 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 111.698 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.741 ' HG2' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -171.52 55.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.739 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.95 26.46 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' O ' HG13 ' A' ' 31' ' ' VAL . 30.0 mmmt -67.11 155.14 39.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.662 HG12 ' HE1' ' A' ' 38' ' ' TYR . 14.8 t -128.1 61.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 24.5 pt-20 -87.78 129.44 35.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.232 0.539 . . . . 0.0 112.027 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.662 ' HE1' HG12 ' A' ' 36' ' ' VAL . 6.5 m-85 -105.04 151.93 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 14.4 tp -85.05 139.87 31.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.9 HD23 HG11 ' A' ' 23' ' ' VAL . 5.3 mp -150.88 134.57 16.47 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -81.48 124.86 29.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.611 ' HE1' ' H ' ' A' ' 51' ' ' THR . 18.1 m95 -99.57 136.15 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.555 . . . . 0.0 112.395 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.56 151.02 48.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.461 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 -52.4 4.45 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.666 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -71.01 -121.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.24 . . . . 0.0 110.76 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.2 p -156.91 149.55 23.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.707 0.289 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.605 ' HA ' ' HG2' ' A' ' 41' ' ' LYS . 19.1 m-20 -47.87 -48.13 31.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.59 -39.73 74.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.504 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.83 36.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.488 ' CG ' HD11 ' A' ' 39' ' ' LEU . 23.3 p30 -84.1 141.14 31.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.669 0.271 . . . . 0.0 110.607 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.611 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.4 t -132.06 132.91 43.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.342 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.537 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 8.8 m95 -72.73 124.77 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.596 ' HB2' HD21 ' A' ' 58' ' ' LEU . 4.1 mm-40 -112.08 144.07 30.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.43 ' HG2' ' CG ' ' A' ' 57' ' ' ASN . 9.4 Cg_endo -53.05 137.66 62.39 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.561 2.174 . . . . 0.0 112.015 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 15.7 tp10 -55.13 -40.08 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -55.19 -42.79 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.43 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 4.5 m120 -69.11 -39.26 79.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.494 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.648 HD22 ' HB1' ' B' ' 7' ' ' ALA . 12.5 mt -53.17 135.49 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.514 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.664 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 34.1 t70 -130.48 47.29 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.8 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' B' ' 7' ' ' ALA . 21.9 p -149.08 64.28 7.34 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.061 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HA ' HD12 ' A' ' 64' ' ' ILE . 75.2 Cg_exo -49.66 -23.42 8.09 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.61 2.207 . . . . 0.0 111.979 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.6 m-20 -55.81 -46.35 78.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.058 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 25' ' ' LYS . 40.1 mt -64.52 -44.3 91.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.961 0.41 . . . . 0.0 110.084 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.573 ' O ' HD13 ' A' ' 68' ' ' LEU . 71.6 mt -54.79 -43.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.28 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.97 -42.19 90.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.757 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.693 ' HA ' HE21 ' A' ' 69' ' ' GLN . 55.4 mt-10 -57.42 -38.61 74.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.709 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 28' ' ' ASP . 29.7 t80 -62.49 -58.9 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.656 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 64' ' ' ILE . 6.4 mp -63.08 -19.66 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.693 HE21 ' HA ' ' A' ' 66' ' ' GLU . 66.8 mt-30 -48.95 -38.77 23.98 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.164 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -72.46 -37.89 68.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.005 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.224 179.798 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 3.1 pt20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.692 0.282 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.555 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 69.2 p -153.14 126.33 8.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.348 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.664 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -109.61 125.3 52.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.427 -179.296 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.407 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 41.2 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.758 0.313 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.517 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 96.7 mt-10 -77.43 131.0 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 4.0 m-85 -116.48 134.03 55.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' B' ' 6' ' ' THR . 47.5 t -61.89 135.24 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.0 HG11 HD23 ' A' ' 40' ' ' LEU . 49.0 t -121.56 132.08 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.82 -51.45 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.354 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.82 ' HA ' HD23 ' A' ' 63' ' ' LEU . 27.2 tptp -178.83 137.62 0.15 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.984 0.421 . . . . 0.0 111.702 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -58.87 143.49 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.141 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.706 HD23 ' HG ' ' A' ' 39' ' ' LEU . 2.6 mm? -107.52 -40.12 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.489 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.3 m-20 -156.56 -150.78 0.3 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HG2' HH11 ' A' ' 29' ' ' ARG . 44.5 ttt-85 -165.22 137.12 4.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.352 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -155.87 138.88 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.94 138.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.206 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.71 HG23 ' HG2' ' A' ' 33' ' ' LYS . 28.1 m -101.34 -41.59 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.976 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.71 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.7 pttp -167.66 56.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.46 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.36 13.86 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -89.93 133.81 34.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.97 0.414 . . . . 0.0 110.617 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 55' ' ' GLU . 8.4 p -95.88 144.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.267 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.05 127.95 13.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.134 0.492 . . . . 0.0 110.582 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.641 ' CE2' HG23 ' A' ' 64' ' ' ILE . 2.5 m-85 -100.22 158.34 15.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.597 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' A' ' 50' ' ' ASN . 14.2 tp -87.57 140.55 29.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.505 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.0 HD23 HG11 ' A' ' 23' ' ' VAL . 6.1 mp -140.62 129.63 23.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 1.1 tmtp? -79.14 119.17 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.49 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.9 m95 -91.75 132.93 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.074 0.464 . . . . 0.0 111.914 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.49 143.39 55.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.18 -48.48 3.59 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.393 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -66.43 140.03 58.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.617 0.246 . . . . 0.0 110.447 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.533 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 50.6 m -52.7 141.36 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.8 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.77 -39.84 62.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.38 -31.23 71.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.35 43.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.828 ' HB3' HD11 ' A' ' 39' ' ' LEU . 4.8 m120 -65.19 139.74 58.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.276 . . . . 0.0 110.705 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.49 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 82.9 m -137.77 127.64 25.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.981 0.42 . . . . 0.0 111.323 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.496 ' CD1' HD13 ' A' ' 39' ' ' LEU . 16.5 m95 -85.41 141.17 30.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.824 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -131.7 141.04 40.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.331 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.509 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 Cg_endo -57.3 138.69 87.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.578 2.185 . . . . 0.0 111.799 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' HB2' HG13 ' A' ' 36' ' ' VAL . 40.4 tt0 -52.67 -33.71 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.407 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.06 -48.87 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.58 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.411 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 4.9 m120 -64.79 -56.47 13.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.782 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.637 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.7 pp -55.84 149.41 14.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.56 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.73 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 59.8 t0 -124.38 58.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.849 ' HB2' HD13 ' A' ' 63' ' ' LEU . 27.0 p -141.98 60.33 10.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD2' ' OE1' ' B' ' 5' ' ' GLN . 19.4 Cg_endo -59.64 -37.56 87.17 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.576 2.184 . . . . 0.0 112.451 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.92 -44.62 91.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.325 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.849 HD13 ' HB2' ' A' ' 60' ' ' CYS . 5.6 mp -67.7 -37.83 82.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.128 0.489 . . . . 0.0 109.809 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.641 HG23 ' CE2' ' A' ' 38' ' ' TYR . 85.0 mt -58.1 -49.64 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.655 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -61.06 -41.63 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.2 -32.05 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.522 ' HB3' ' O ' ' A' ' 64' ' ' ILE . 30.5 t80 -61.47 -56.4 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -64.89 -40.22 94.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.791 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 73.6 mt-30 -59.62 -42.42 92.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 56.2 m -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.117 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.318 -179.622 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.453 ' OE1' ' HA ' ' A' ' 60' ' ' CYS . 92.0 mm-40 . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.941 0.401 . . . . 0.0 111.558 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.553 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 39.7 p -152.98 116.34 4.67 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.73 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -84.63 135.28 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.468 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.712 179.806 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HG3' ' HE1' ' A' ' 21' ' ' TYR . 11.5 pt-20 . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.919 0.39 . . . . 0.0 111.428 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.499 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 96.3 mt-10 -86.76 129.98 34.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m-85 -98.5 140.25 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' B' ' 6' ' ' THR . 59.5 t -57.71 -47.54 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.505 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 21' ' ' TYR . 17.5 t 65.23 128.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.22 -52.19 17.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HE2' ' HB3' ' A' ' 66' ' ' GLU . 61.6 tttm 178.71 139.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.277 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.774 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -60.76 129.95 24.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.935 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 98.0 mt -80.65 -56.2 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.797 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.94 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.7 m-20 -137.81 -166.08 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -160.15 140.26 11.55 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.679 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.7 ptm180 -155.79 154.04 30.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.969 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.3 t -121.28 136.15 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.91 0.386 . . . . 0.0 111.192 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.99 127.75 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.371 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt 42.08 38.06 1.0 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.317 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.96 37.63 49.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.594 ' HB3' ' HZ2' ' A' ' 35' ' ' LYS . 5.1 mmmp? -122.06 140.43 52.52 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.735 0.302 . . . . 0.0 110.585 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 48.0 t -92.45 134.92 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.807 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.7 pt-20 -154.3 135.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.215 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 23.5 m-85 -127.56 135.23 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.94 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 14.5 tp -75.34 137.83 41.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.917 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.774 HD23 ' HA ' ' A' ' 26' ' ' VAL . 79.5 mt -137.1 132.14 33.67 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' HD21 ' A' ' 27' ' ' LEU . 27.8 tptp -86.24 76.43 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.306 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 30.6 m95 -55.3 131.35 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.576 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.26 139.08 58.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.431 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.74 -40.1 2.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.161 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 4.6 m-85 -72.54 137.21 46.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.998 0.427 . . . . 0.0 111.498 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.0 m -62.51 157.23 20.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p30 -53.73 -37.59 63.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -61.61 -36.65 81.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.019 0.438 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -61.4 -28.05 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.837 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 86.7 m-20 -44.75 142.49 1.71 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 111.346 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.412 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 7.5 t -147.52 128.82 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.987 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.489 ' CE3' ' HG2' ' A' ' 30' ' ' ARG . 11.5 m95 -70.46 140.38 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.144 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.873 ' HG3' HD21 ' A' ' 58' ' ' LEU . 6.7 pt-20 -148.5 145.48 20.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.767 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.707 ' HG2' HD22 ' A' ' 57' ' ' ASN . 9.3 Cg_endo -51.46 136.49 48.26 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.143 2.562 . . . . 0.0 113.388 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.54 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 43.5 tp10 -60.3 -30.89 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.095 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -49.28 -51.27 34.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.707 HD22 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -69.94 -37.61 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.873 HD21 ' HG3' ' A' ' 53' ' ' GLU . 7.4 mt -56.86 125.32 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.14 53.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.295 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.572 ' HB2' ' HB3' ' B' ' 5' ' ' GLN . 26.0 p -151.94 57.24 2.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.3 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.33 -31.55 47.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.695 2.263 . . . . 0.0 112.152 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.78 -50.49 72.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.663 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 54.7 mt -59.37 -45.18 92.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.561 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.9 mp -52.45 -41.17 35.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -61.62 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.354 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -58.26 -41.7 84.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 179.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.471 ' HB2' HG22 ' A' ' 26' ' ' VAL . 15.9 t80 -68.42 -44.75 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.641 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 76.1 mt -65.66 -41.87 92.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.81 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 28.3 mt-30 -55.22 -36.06 65.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.113 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -53.34 -47.53 69.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 179.703 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.663 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 15.4 mp0 . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.506 0.193 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 20' ' ' GLU . 55.0 p -152.07 147.46 26.51 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 111.677 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.54 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -148.35 130.01 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.412 ' HG3' HH11 ' B' ' 8' ' ' ARG . 51.2 mtm-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.718 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 4.8 mm-40 . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.908 0.385 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 46.7 mt-10 -77.82 136.27 38.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.988 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.443 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 9.0 m-85 -128.75 139.96 51.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -54.01 140.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.624 ' CG1' HD22 ' A' ' 40' ' ' LEU . 82.3 t -129.93 127.61 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.435 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -81.97 -54.13 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.716 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.715 ' HA ' HD12 ' A' ' 63' ' ' LEU . 63.5 tttp 177.92 140.14 0.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.7 ' HA ' HD23 ' A' ' 40' ' ' LEU . 17.7 m -63.22 133.65 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.911 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 3.0 mm? -87.12 -17.04 33.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.577 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 31.2 t0 -176.36 -147.67 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.072 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 43.4 ttp85 -168.9 136.17 1.89 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.192 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.4 ptt180 -155.45 141.89 18.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.972 0.415 . . . . 0.0 111.95 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.29 137.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.151 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.762 HG23 ' HG2' ' A' ' 33' ' ' LYS . 34.8 m -104.58 -38.8 5.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.405 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.762 ' HG2' HG23 ' A' ' 32' ' ' VAL . 22.1 pttp -167.85 45.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.76 -35.63 4.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -82.2 142.45 32.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.001 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.726 ' HB ' ' HG3' ' A' ' 55' ' ' GLU . 2.4 t -110.58 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.93 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.7 127.52 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.165 0.507 . . . . 0.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.502 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 21.7 m-85 -104.75 126.15 51.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.105 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 50' ' ' ASN . 14.7 tp -59.79 143.45 51.04 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 26' ' ' VAL . 74.8 mt -145.48 133.04 20.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 6.9 tmtm? -86.42 96.59 10.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.8 178.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.472 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 40.4 m95 -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 112.247 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -66.35 142.05 57.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.92 -49.69 3.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.609 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.11 141.5 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.522 0.201 . . . . 0.0 110.503 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.515 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.8 m -50.07 139.5 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.747 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -52.17 -46.46 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.962 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.5 pt-20 -57.39 -31.59 65.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.268 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.515 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -76.33 39.32 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.832 ' HB3' HD11 ' A' ' 39' ' ' LEU . 67.4 m-20 -68.23 142.73 55.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.472 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 90.9 m -136.35 128.2 29.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.431 . . . . 0.0 111.821 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.654 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.9 m95 -78.7 149.17 32.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.16 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.499 ' O ' HD23 ' A' ' 58' ' ' LEU . 65.1 mm-40 -140.39 128.92 12.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.673 0.273 . . . . 0.0 111.364 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.52 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 Cg_exo -56.01 143.56 82.48 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.577 2.185 . . . . 0.0 111.778 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.726 ' HG3' ' HB ' ' A' ' 36' ' ' VAL . 54.9 mt-10 -50.56 -37.04 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.887 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.94 -49.47 70.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.662 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.41 HD22 ' CG ' ' A' ' 54' ' ' PRO . 77.3 m-20 -66.26 -53.97 30.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 58' ' ' LEU . 3.0 pp -61.14 166.14 3.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.076 0.465 . . . . 0.0 111.46 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.786 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 38.8 t70 -137.4 50.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.662 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.761 ' HB2' HD23 ' A' ' 63' ' ' LEU . 24.7 p -128.32 54.88 14.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.24 -45.11 43.43 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.591 2.194 . . . . 0.0 112.562 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.72 -33.81 66.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.002 0.429 . . . . 0.0 110.488 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.761 HD23 ' HB2' ' A' ' 60' ' ' CYS . 2.6 mm? -67.0 -44.37 80.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.808 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 64' ' ' ILE . 2.0 mp -60.84 -47.22 94.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 110.676 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -59.67 -46.43 89.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -59.16 -41.58 88.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.571 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 29.2 t80 -55.45 -49.29 72.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.161 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.59 -37.79 85.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.474 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 98.2 mm-40 -54.23 -40.61 67.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.2 t -55.04 -36.37 65.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.21 -179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' B' ' 5' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.977 0.418 . . . . 0.0 111.612 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 65.0 p -148.95 110.24 4.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.376 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.786 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -69.46 -155.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.742 HH12 ' HB2' ' A' ' 59' ' ' ASP . 63.7 mtt85 . . . . . 0 C--N 1.332 -0.193 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.02 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 121.12 0.486 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.887 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 0.9 OUTLIER -79.87 137.02 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.196 0.522 . . . . 0.0 112.014 -179.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -122.92 133.36 54.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.548 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 57.8 t -64.0 134.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.066 HG11 HD23 ' A' ' 40' ' ' LEU . 41.6 t -124.38 130.9 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.93 -50.12 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -179.69 142.32 0.17 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 64' ' ' ILE . 17.9 m -64.78 133.05 30.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.534 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 89.4 mt -78.36 -32.54 49.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.437 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.8 t70 -170.6 -153.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.878 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.509 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.4 ptt180 -168.61 142.27 3.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.372 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.492 HH12 HG12 ' A' ' 32' ' ' VAL . 39.1 ptt85 -155.65 144.69 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 111.217 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.1 t -92.72 143.04 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.972 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.669 HG23 ' HG2' ' A' ' 33' ' ' LYS . 31.6 m -101.61 -40.69 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.725 0.298 . . . . 0.0 111.701 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.669 ' HG2' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -169.7 53.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.155 0.503 . . . . 0.0 110.374 -179.632 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 -25.38 28.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.885 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.501 ' HB3' ' H ' ' A' ' 36' ' ' VAL . 94.2 mttt -74.99 -155.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 111.04 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 38.9 t -145.57 145.71 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.01 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.862 ' HG2' ' HB3' ' A' ' 52' ' ' TRP . 27.7 tt0 -151.33 127.0 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.249 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.537 ' HB2' HD11 ' A' ' 58' ' ' LEU . 12.5 m-85 -119.58 144.09 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 111.891 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 40' ' ' LEU . 14.1 tp -88.07 145.55 25.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.36 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.066 HD23 HG11 ' A' ' 23' ' ' VAL . 5.3 mp -140.92 135.47 31.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.034 0.445 . . . . 0.0 111.606 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -81.29 67.03 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.043 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.689 ' HE1' ' H ' ' A' ' 51' ' ' THR . 19.7 m95 -47.88 133.9 13.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.79 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HD3' ' HB ' ' A' ' 22' ' ' VAL . 22.2 pttp -58.08 140.26 52.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.299 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.57 -36.33 1.6 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.608 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.524 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 1.3 m-85 -74.18 128.71 36.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 m -69.76 -166.45 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.279 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.6 m-20 -65.28 -51.99 57.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.36 -38.47 87.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.47 -34.85 64.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.451 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.632 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 80.4 m-20 -51.08 142.13 12.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 111.368 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.689 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.3 t -137.58 131.39 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.763 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.862 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 5.9 m95 -72.67 142.63 48.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.387 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.676 ' HB2' HD21 ' A' ' 58' ' ' LEU . 52.6 mm-40 -135.32 139.78 32.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.75 ' HG2' HD22 ' A' ' 57' ' ' ASN . 8.5 Cg_endo -50.2 131.57 31.48 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.47 2.113 . . . . 0.0 111.81 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 17.6 tp10 -50.65 -28.61 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.492 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.09 -50.95 67.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.75 HD22 ' HG2' ' A' ' 54' ' ' PRO . 77.3 m-20 -71.35 -36.69 71.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 111.324 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 53' ' ' GLU . 16.5 mt -52.08 139.13 23.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.264 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.689 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -130.72 54.5 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' B' ' 5' ' ' GLN . 64.1 m -142.43 57.89 6.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.892 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.6 Cg_exo -52.71 -38.58 77.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.516 2.144 . . . . 0.0 111.978 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.531 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 64.7 t0 -60.87 -45.36 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.593 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 53.0 mt -63.67 -39.92 95.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.383 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.601 ' O ' HD23 ' A' ' 68' ' ' LEU . 47.2 mm -55.38 -51.46 56.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -57.26 -39.75 76.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.364 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.619 ' HA ' HE21 ' A' ' 69' ' ' GLN . 97.3 mt-10 -56.79 -41.85 78.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.67 ' CD2' HD22 ' A' ' 68' ' ' LEU . 15.6 t80 -62.97 -52.64 62.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.526 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 67' ' ' PHE . 3.4 mm? -56.31 -33.46 65.59 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.619 HE21 ' HA ' ' A' ' 66' ' ' GLU . 74.1 mt-30 -50.47 -37.1 36.7 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.4 t -58.63 -49.18 78.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 . . . . . 0 C--O 1.233 0.197 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.403 178.222 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.518 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 120.981 0.42 . . . . 0.0 111.809 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.526 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 40.0 p -153.39 115.44 4.33 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.738 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.689 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -71.29 -7.29 46.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.455 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.887 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 88.4 mtm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 39.3 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.666 0.269 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.716 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 92.8 mt-10 -74.2 131.2 41.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.944 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.426 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.7 m-85 -117.66 143.23 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -55.35 135.03 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.84 HG22 ' HZ3' ' A' ' 42' ' ' TRP . 10.6 t -117.9 135.43 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.568 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -86.74 -74.99 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -158.3 135.91 10.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.152 0.501 . . . . 0.0 111.368 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.556 HG23 HD21 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -60.7 134.65 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.803 HD12 ' HG ' ' A' ' 39' ' ' LEU . 89.8 mt -97.03 -40.33 8.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -174.72 -144.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.415 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . 15.7 ptm180 -168.95 147.22 3.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.62 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.563 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 16.4 ptm180 -155.12 138.81 16.1 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.59 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 35' ' ' LYS . 58.3 t -88.19 138.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.9 t -88.1 -50.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.841 0.353 . . . . 0.0 111.521 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -171.08 42.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.955 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.63 -31.19 4.45 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.179 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 31' ' ' VAL . 56.5 mtpt -78.6 -151.57 0.05 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.094 0.473 . . . . 0.0 110.653 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 7.5 p -166.8 136.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -145.1 127.98 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.792 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 29' ' ' ARG . 5.5 m-85 -98.62 143.47 28.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.33 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 50' ' ' ASN . 24.9 tp -82.75 140.08 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.86 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 26' ' ' VAL . 4.7 mp -154.98 135.73 13.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.886 0.374 . . . . 0.0 111.819 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.831 ' HE2' ' HA ' ' A' ' 47' ' ' ASP . 27.7 tptp -77.01 127.62 33.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.616 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.84 ' HZ3' HG22 ' A' ' 23' ' ' VAL . 30.7 m95 -106.41 129.86 54.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.111 0.481 . . . . 0.0 111.507 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -56.7 144.0 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.728 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.66 -47.64 3.69 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.938 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.451 ' HD1' ' H ' ' A' ' 45' ' ' PHE . 1.5 m-85 -67.63 145.82 54.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.803 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.636 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 50.1 m -49.1 151.35 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.831 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 11.8 p-10 -55.64 -55.49 31.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.194 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.609 ' OE2' ' HB3' ' A' ' 46' ' ' SER . 1.2 pm0 -68.12 -11.09 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.629 0.252 . . . . 0.0 111.071 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.636 ' HB2' ' HB2' ' A' ' 46' ' ' SER . 31.8 t70 -75.38 24.8 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.244 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.834 ' HB3' HD11 ' A' ' 39' ' ' LEU . 68.4 m-20 -63.5 139.1 58.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.718 0.294 . . . . 0.0 110.449 179.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.454 HG22 ' OE2' ' A' ' 53' ' ' GLU . 85.2 m -136.24 126.87 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.262 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.578 ' NE1' HD13 ' A' ' 39' ' ' LEU . 9.0 m95 -76.43 131.87 39.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.596 ' HB2' HD21 ' A' ' 58' ' ' LEU . 50.7 mm-40 -111.95 147.01 35.97 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.4 Cg_exo -59.7 136.36 70.12 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.059 1.839 . . . . 0.0 111.214 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -51.33 -42.77 61.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.389 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 15.3 pt-20 -61.6 -43.15 99.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.456 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 2.6 m120 -61.28 -35.49 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' ' 53' ' ' GLU . 20.3 mt -55.49 146.11 21.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.368 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.519 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -139.69 52.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 25.2 p -165.7 60.62 0.67 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.675 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.576 ' HA ' HD12 ' A' ' 64' ' ' ILE . 76.5 Cg_exo -50.55 -26.16 16.09 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.751 2.301 . . . . 0.0 112.587 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.576 ' HB3' ' NE2' ' B' ' 5' ' ' GLN . 8.3 t70 -51.16 -43.5 61.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.075 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.518 HD21 ' OE1' ' B' ' 5' ' ' GLN . 76.7 mt -67.7 -40.77 84.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.897 0.38 . . . . 0.0 110.046 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 61' ' ' PRO . 67.6 mt -55.36 -43.54 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -63.01 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.898 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.536 ' HA ' ' OE1' ' A' ' 69' ' ' GLN . 39.3 tt0 -56.43 -36.62 69.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.321 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.487 ' HB3' ' O ' ' A' ' 64' ' ' ILE . 19.0 t80 -59.68 -56.33 23.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.383 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.5 mp -63.94 -28.74 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.045 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 84.9 mt-30 -48.82 -43.48 38.42 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.219 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.6 m -66.04 -46.05 79.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.929 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.0 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.576 ' NE2' ' HB3' ' A' ' 62' ' ' ASP . 69.7 mt-30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.686 ' HA ' HG23 ' A' ' 23' ' ' VAL . 68.3 p -143.86 140.34 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.608 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.579 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -123.23 27.96 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.716 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 72.3 mtt-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.256 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 39.2 tt0 . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.705 0.288 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.89 73.87 2.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 7.0 m-85 -60.44 136.29 58.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.354 . . . . 0.0 110.961 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.28 136.52 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.881 HG11 HD23 ' A' ' 40' ' ' LEU . 19.1 t -127.5 129.72 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.16 -53.23 13.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -177.87 136.38 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.8 130.34 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.866 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 86.5 mt -81.99 -49.24 10.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.362 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.87 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 2.1 m-20 -146.05 -158.42 0.9 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HG2' ' HE2' ' A' ' 67' ' ' PHE . 36.6 ptt85 -169.02 134.31 1.58 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.46 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 39.8 ptt180 -157.01 141.88 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.853 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 36' ' ' VAL . 94.0 t -100.92 139.61 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.73 -80.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.323 . . . . 0.0 110.754 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.592 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . 5.2 mtpm? -85.37 42.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.763 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.5 -24.16 5.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.399 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -75.25 142.62 43.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.991 0.424 . . . . 0.0 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' A' ' 31' ' ' VAL . 4.8 t -98.89 83.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.48 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.38 127.01 35.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.208 0.527 . . . . 0.0 111.145 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.615 ' HB2' HD11 ' A' ' 58' ' ' LEU . 7.6 m-85 -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.225 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.87 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 14.4 tp -85.05 136.15 33.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.646 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.881 HD23 HG11 ' A' ' 23' ' ' VAL . 4.6 mp -151.07 140.97 21.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.752 0.311 . . . . 0.0 111.484 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -83.18 140.29 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 7.1 m95 -119.52 134.39 55.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.05 0.452 . . . . 0.0 111.134 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -58.52 147.99 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.84 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.95 -49.74 3.78 Favored Glycine 0 C--N 1.331 0.298 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.77 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -71.78 140.32 49.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -51.54 146.79 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.61 -41.43 73.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.983 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -62.93 -21.02 65.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.38 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.63 43.17 0.24 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.777 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.641 ' HB3' HD11 ' A' ' 39' ' ' LEU . 5.4 m120 -57.37 142.61 43.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.732 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.468 HG22 ' OE1' ' A' ' 53' ' ' GLU . 89.2 m -145.66 116.16 7.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.569 ' CZ2' HD22 ' A' ' 39' ' ' LEU . 8.7 m95 -85.45 117.66 24.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.262 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.629 ' HB2' HD21 ' A' ' 58' ' ' LEU . 3.1 mm-40 -107.55 142.04 24.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.864 ' HG2' HD22 ' A' ' 57' ' ' ASN . 5.8 Cg_endo -49.56 133.1 31.55 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 16.5 tp10 -56.84 -33.69 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.901 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.56 -48.29 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.575 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.864 HD22 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -72.34 -36.0 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.811 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 53' ' ' GLU . 25.5 mt -48.79 140.36 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.616 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -132.83 48.75 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.002 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.847 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 70.1 m -126.44 64.19 54.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.03 -44.53 48.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.461 2.108 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.76 ' H ' HE21 ' B' ' 5' ' ' GLN . 61.7 m-20 -67.18 -44.45 79.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.573 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.584 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 52.5 mt -62.37 -43.85 97.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.655 0.264 . . . . 0.0 111.009 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.691 ' O ' HD13 ' A' ' 68' ' ' LEU . 87.3 mt -55.13 -47.82 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.231 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -59.55 -35.49 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.119 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 52.7 mt-10 -62.44 -41.13 98.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.376 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 9.8 t80 -71.46 -51.42 23.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.146 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 64' ' ' ILE . 5.5 mp -65.33 -21.4 66.7 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.214 0.531 . . . . 0.0 109.893 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 51.0 tp60 -49.31 -41.99 40.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.746 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.2 m -62.18 -44.97 95.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.612 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.404 ' OE1' ' N ' ' A' ' 71' ' ' GLN . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.88 178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.847 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 12.1 mm100 . . . . . 0 N--CA 1.461 0.092 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 17.7 p 63.32 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.288 0.566 . . . . 0.0 112.036 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -144.66 116.56 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.997 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 84.6 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 42.5 tp10 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -78.45 77.98 4.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.434 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.623 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 5.5 m-85 -61.04 141.66 57.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.512 ' HA ' HG22 ' B' ' 6' ' ' THR . 46.6 t -56.12 -43.47 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.757 HG21 ' HB3' ' B' ' 7' ' ' ALA . 21.8 t 67.1 143.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 111.031 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HG2' ' HG2' ' A' ' 25' ' ' LYS . 38.7 tt0 -95.21 -52.59 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.604 ' HA ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -173.43 149.38 1.7 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HA ' ' HG ' ' A' ' 40' ' ' LEU . 1.2 t -72.1 144.1 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.601 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.678 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.1 mm? -108.72 -39.67 5.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.522 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 36.9 t0 -171.28 -146.31 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.403 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.511 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 32.2 ptt85 -168.79 141.34 2.77 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 2.8 ptm85 -155.58 137.04 14.07 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -95.88 132.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.256 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.757 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -94.07 -30.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.096 0.474 . . . . 0.0 111.222 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.757 ' HG2' HG23 ' A' ' 32' ' ' VAL . 60.0 pttt -159.9 -31.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.74 -22.53 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.917 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.601 ' HG2' HG22 ' A' ' 32' ' ' VAL . 21.8 ptmt -76.59 159.45 30.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.588 HG12 ' HE1' ' A' ' 38' ' ' TYR . 1.9 t -115.94 81.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -87.46 127.54 35.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.315 0.578 . . . . 0.0 111.381 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.588 ' HE1' HG12 ' A' ' 36' ' ' VAL . 8.1 m-85 -106.44 143.71 34.16 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.811 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.907 HD11 ' HB3' ' A' ' 50' ' ' ASN . 19.3 tp -83.19 140.64 32.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.52 ' CD2' HG11 ' A' ' 23' ' ' VAL . 4.9 mp -152.16 133.62 14.56 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.414 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 4.9 ttmp? -74.85 134.02 41.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.536 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 33.8 m95 -107.59 134.39 50.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.478 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -62.55 145.4 54.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.86 -51.24 4.28 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -70.89 139.77 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.67 0.271 . . . . 0.0 110.437 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -52.72 144.44 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -55.03 -34.19 63.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -63.64 -27.78 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.807 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -76.5 43.94 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.599 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.907 ' HB3' HD11 ' A' ' 39' ' ' LEU . 4.6 m120 -60.72 143.68 53.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.652 0.263 . . . . 0.0 110.584 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -145.78 121.47 10.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.984 0.421 . . . . 0.0 111.565 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.521 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.8 m95 -83.84 154.52 23.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.132 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.71 ' HG3' HD21 ' A' ' 58' ' ' LEU . 16.2 pt-20 -149.05 138.8 12.88 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.444 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.709 ' O ' HD23 ' A' ' 58' ' ' LEU . 17.7 Cg_endo -57.89 126.85 22.98 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.539 2.159 . . . . 0.0 112.107 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 5.0 tm-20 -41.46 -34.15 0.51 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.74 -50.72 43.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.708 HD22 ' HG2' ' A' ' 54' ' ' PRO . 77.1 m-20 -72.82 -30.75 64.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.727 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.71 HD21 ' HG3' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -44.38 132.12 6.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.71 -179.283 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -122.31 41.83 3.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.846 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.891 ' HB2' HD13 ' A' ' 63' ' ' LEU . 25.7 p -155.7 59.05 2.0 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.549 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.3 -29.46 30.11 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.904 2.403 . . . . 0.0 112.184 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.661 ' HB3' HE21 ' B' ' 5' ' ' GLN . 33.3 t70 -56.0 -39.94 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.891 HD13 ' HB2' ' A' ' 60' ' ' CYS . 7.4 mp -70.35 -42.34 71.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.774 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 64' ' ' ILE . 2.1 mp -59.57 -44.05 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.66 -43.95 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 89.2 tt0 -56.44 -39.58 73.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.846 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.14 -32.73 72.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.908 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 75.8 mt-30 -53.39 -43.04 67.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.255 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.7 m -60.42 -32.9 71.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.759 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.013 179.569 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.661 HE21 ' HB3' ' A' ' 62' ' ' ASP . 11.8 mm100 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.551 0.215 . . . . 0.0 110.698 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 22' ' ' VAL . 61.0 p -147.36 179.87 7.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 111.536 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.757 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -177.1 122.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.921 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.438 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 80.4 mtm180 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.155 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' B' ' 8' ' ' ARG . 84.5 tt0 . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.703 0.287 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.761 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 45.4 mt-10 -76.11 134.04 40.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -112.24 140.27 47.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.46 140.37 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.619 ' CG1' HD22 ' A' ' 40' ' ' LEU . 58.8 t -127.37 132.55 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 111.765 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.77 -50.73 7.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.398 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -179.53 138.78 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.0 HG12 HD21 ' A' ' 40' ' ' LEU . 3.1 m -63.9 133.2 29.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD12 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -86.79 -35.91 18.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CH2' ' A' ' 52' ' ' TRP . 35.0 t70 -166.01 145.17 6.06 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -101.87 135.82 42.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -154.32 132.82 12.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 35' ' ' LYS . 38.7 t -90.69 144.17 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.42 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.87 HG22 ' HG3' ' A' ' 33' ' ' LYS . 2.8 p -149.92 124.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.879 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.87 ' HG3' HG22 ' A' ' 32' ' ' VAL . 43.6 mtmt 62.48 37.01 13.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.094 -178.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.17 -19.08 3.04 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.712 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.515 ' O ' HG13 ' A' ' 31' ' ' VAL . 88.2 mttt -69.08 -150.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.35 0.595 . . . . 0.0 110.958 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.8 p -169.52 133.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.418 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -141.17 139.05 33.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.44 ' CE2' HG23 ' A' ' 64' ' ' ILE . 9.8 m-85 -116.61 129.08 55.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.468 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' ' 50' ' ' ASN . 22.7 tp -62.3 147.38 48.35 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.0 HD21 HG12 ' A' ' 26' ' ' VAL . 95.7 mt -145.25 129.31 17.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -177.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.22 111.95 18.1 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.704 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.438 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 44.6 m95 -90.4 130.29 36.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.323 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.59 142.11 57.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.77 -41.46 2.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.959 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -68.69 136.44 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.678 0.275 . . . . 0.0 110.677 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.53 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.3 m -58.33 146.03 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.2 -40.57 61.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.67 -31.5 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.53 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.16 40.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.696 ' HB3' HD11 ' A' ' 39' ' ' LEU . 4.9 m120 -67.21 141.86 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.603 0.24 . . . . 0.0 110.431 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -140.86 128.07 20.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 111.408 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.592 ' NE1' HD13 ' A' ' 39' ' ' LEU . 19.9 m95 -92.39 150.49 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.472 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.852 ' HG2' HD11 ' A' ' 58' ' ' LEU . 1.3 pm0 -151.4 146.1 18.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.397 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.884 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 31.0 Cg_endo -61.8 120.56 8.23 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.638 2.225 . . . . 0.0 111.911 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 38.4 tt0 -43.32 -29.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.84 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.884 ' HG2' ' HB2' ' A' ' 54' ' ' PRO . 16.1 pt-20 -46.3 -46.2 17.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.996 0.427 . . . . 0.0 110.202 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.605 HD22 ' HG2' ' A' ' 54' ' ' PRO . 76.0 m-20 -76.14 -37.21 58.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.852 HD11 ' HG2' ' A' ' 53' ' ' GLU . 6.6 mp -54.85 138.11 43.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -130.92 56.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 26.7 p -145.46 56.59 3.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.229 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 49.9 Cg_exo -55.84 -34.77 92.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.519 2.146 . . . . 0.0 112.424 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.656 ' H ' HE22 ' B' ' 5' ' ' GLN . 34.5 t70 -56.89 -50.28 72.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HG ' ' OE1' ' B' ' 5' ' ' GLN . 30.8 mt -66.75 -41.01 88.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.131 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 84.9 mt -54.03 -42.05 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.251 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.09 -42.42 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -55.85 -42.08 75.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -67.33 -47.16 71.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.183 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 78.7 mt -61.56 -25.11 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.916 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 3.4 mm100 -46.84 -43.17 18.32 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.627 0.251 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 m -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.119 0.485 . . . . 0.0 109.932 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.308 178.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.656 HE22 ' H ' ' A' ' 62' ' ' ASP . 79.2 mt-30 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.513 0.197 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.432 HG23 ' O ' ' B' ' 5' ' ' GLN . 18.6 p -158.84 -174.59 4.84 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.197 0.523 . . . . 0.0 111.573 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -174.19 115.54 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.62 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.761 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 19.2 ttm105 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.863 -178.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.932 0.396 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -79.99 123.92 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.8 m-85 -100.3 146.78 26.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.78 -44.85 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 21' ' ' TYR . 21.4 t 66.97 141.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.418 . . . . 0.0 111.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.698 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 14.6 tp10 -85.22 -61.11 1.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.952 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HA ' HD23 ' A' ' 63' ' ' LEU . 27.1 tptp -179.19 139.86 0.15 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 111.709 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -58.61 135.57 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.789 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.781 HD23 ' HG ' ' A' ' 39' ' ' LEU . 2.5 mm? -100.93 -36.45 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 18.1 t70 -172.33 -150.62 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.512 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.553 HH11 ' HG2' ' A' ' 29' ' ' ARG . 20.5 ptt-85 -168.58 142.69 3.19 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.1 ptt180 -155.51 134.33 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.162 0.506 . . . . 0.0 112.195 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 35' ' ' LYS . 46.1 t -79.01 151.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.734 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.78 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -135.1 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.901 0.382 . . . . 0.0 111.249 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.78 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.3 ptmt -163.12 53.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.09 -29.98 4.51 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.46 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.572 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -78.29 -151.82 0.05 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' A' ' 55' ' ' GLU . 7.5 p -167.04 127.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.309 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.544 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -114.3 129.68 56.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.538 ' O ' HD12 ' A' ' 40' ' ' LEU . 8.7 m-85 -102.14 138.77 38.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.479 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.937 HD11 ' HB3' ' A' ' 50' ' ' ASN . 22.1 tp -80.68 137.46 36.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 38' ' ' TYR . 4.5 mp -151.74 129.6 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 111.707 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.698 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 85.5 tttt -72.16 138.16 47.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.498 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.542 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 62.9 m95 -111.31 133.17 53.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.118 0.485 . . . . 0.0 111.53 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.04 143.42 55.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.24 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.4 -46.24 2.99 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.207 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.74 139.07 53.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.638 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 48' ' ' GLU . 46.7 t -52.01 146.22 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.17 -43.0 63.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 24.6 pt-20 -61.5 -29.24 69.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.033 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -74.07 36.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.937 ' HB3' HD11 ' A' ' 39' ' ' LEU . 68.4 m-20 -69.48 141.89 53.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.287 . . . . 0.0 110.39 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -135.49 126.86 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.59 ' NE1' HD13 ' A' ' 39' ' ' LEU . 13.3 m95 -81.55 124.72 29.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 59.7 mm-40 -89.58 143.23 30.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.052 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 57' ' ' ASN . 6.4 Cg_exo -73.0 45.3 0.9 Allowed 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.152 2.568 . . . . 0.0 113.407 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.2 tt0 58.29 -73.73 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 54' ' ' PRO . 55.0 mt-10 -49.25 -38.68 27.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' O ' ' HB3' ' B' ' 8' ' ' ARG . 3.5 m120 -58.47 -58.42 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 3.3 pp -59.31 179.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 111.75 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.814 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 35.0 t70 -156.98 44.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.253 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.871 ' HB3' HD13 ' A' ' 63' ' ' LEU . 75.2 m -120.72 69.88 17.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.949 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.81 -38.16 96.41 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.906 2.404 . . . . 0.0 112.385 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.681 ' HB3' HE21 ' B' ' 5' ' ' GLN . 38.6 t70 -62.6 -40.58 97.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 60' ' ' CYS . 7.8 mp -68.47 -45.38 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.925 0.393 . . . . 0.0 110.659 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.425 HG23 ' CE2' ' A' ' 38' ' ' TYR . 79.4 mt -59.47 -42.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -70.18 -41.02 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.152 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.27 -38.03 79.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.048 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 16.6 t80 -60.8 -48.99 79.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.363 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.94 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.39 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 72.3 mt-30 -58.76 -39.54 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.8 t -57.22 -51.7 68.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.146 -179.548 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.681 HE21 ' HB3' ' A' ' 62' ' ' ASP . 73.9 mt-30 . . . . . 0 N--CA 1.464 0.226 0 CA-C-O 120.682 0.277 . . . . 0.0 110.633 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.686 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 52.4 p -154.38 125.29 7.18 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.594 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.814 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -80.08 -131.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.527 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 39.8 ttm180 . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.745 0.307 . . . . 0.0 110.74 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.579 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 89.1 tt0 . . . . . 0 N--CA 1.457 -0.101 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 8.7 mp0 -68.27 76.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.466 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.6 m-85 -61.23 135.3 57.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.192 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.659 ' HA ' HG22 ' B' ' 6' ' ' THR . 21.4 t -67.45 137.47 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.33 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.616 HG21 HD22 ' A' ' 40' ' ' LEU . 6.8 p -129.07 134.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.604 ' HG2' ' HG3' ' A' ' 25' ' ' LYS . 44.1 tt0 -67.25 -69.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.657 ' HA ' HD22 ' A' ' 63' ' ' LEU . 67.3 mttm -154.05 143.7 21.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.167 0.508 . . . . 0.0 111.949 -178.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.738 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -60.01 131.85 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.564 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.798 HD12 ' HG ' ' A' ' 39' ' ' LEU . 94.6 mt -92.94 -43.02 9.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 41.4 m-20 -164.46 -153.55 0.21 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 112.014 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 40.1 ptt180 -168.93 139.06 2.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.635 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.89 129.18 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.078 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 36' ' ' VAL . 41.3 t -89.12 140.8 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 110.983 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.775 HG22 ' HG3' ' A' ' 33' ' ' LYS . 7.4 p -153.99 131.96 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.882 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.775 ' HG3' HG22 ' A' ' 32' ' ' VAL . 57.2 mttp 75.62 -37.31 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.625 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 154.23 -21.65 0.66 Allowed Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.698 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.897 ' HD2' ' H ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -100.94 139.37 36.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.042 0.448 . . . . 0.0 111.758 -179.071 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.66 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 2.8 t -80.8 141.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.401 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 11.6 pt-20 -139.08 127.18 22.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 110.83 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 29' ' ' ARG . 6.5 m-85 -105.34 129.5 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.63 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.798 ' HG ' HD12 ' A' ' 27' ' ' LEU . 27.0 tp -64.88 143.68 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.738 HD23 ' HA ' ' A' ' 26' ' ' VAL . 74.3 mt -142.77 131.57 22.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.473 . . . . 0.0 112.184 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 28.4 tptp -83.05 72.35 10.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.527 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 48.8 m95 -58.16 138.01 56.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -58.86 143.86 46.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.328 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.03 -39.84 2.07 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.567 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -78.99 131.07 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.7 m -70.17 -166.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.445 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.673 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 8.2 t70 -67.42 -50.36 59.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.072 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -40.36 94.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.63 -36.79 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.405 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.673 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 76.9 m-20 -52.03 136.13 29.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.018 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 t -128.33 131.68 48.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.445 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.647 ' NE1' HD13 ' A' ' 39' ' ' LEU . 8.8 m95 -66.66 101.83 0.84 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.944 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.619 ' HB3' HD21 ' A' ' 58' ' ' LEU . 88.4 tt0 -88.13 137.63 31.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.189 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.861 ' HG2' HD22 ' A' ' 57' ' ' ASN . 9.6 Cg_endo -53.23 133.68 53.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.422 2.082 . . . . 0.0 111.768 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.9 tt0 -52.79 -30.37 32.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.578 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -57.21 -52.22 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.839 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.861 HD22 ' HG2' ' A' ' 54' ' ' PRO . 79.1 m-20 -70.66 -31.29 68.16 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.731 ' HA ' ' HB1' ' B' ' 7' ' ' ALA . 17.3 mt -50.23 140.27 13.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 111.453 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.498 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 29.2 m-20 -127.92 41.11 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.19 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.747 ' SG ' HD11 ' A' ' 63' ' ' LEU . 8.9 p -144.02 59.76 7.37 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.224 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.93 -9.18 11.27 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.364 2.042 . . . . 0.0 112.053 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 35.0 t70 -65.79 -64.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.547 -179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.747 HD11 ' SG ' ' A' ' 60' ' ' CYS . 0.5 OUTLIER -68.42 -32.83 73.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.168 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 63' ' ' LEU . 77.4 mt -58.77 -41.8 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.42 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 71.8 mm-40 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 49.1 t80 -69.64 -51.97 30.04 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.031 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.648 ' N ' HD12 ' A' ' 68' ' ' LEU . 3.3 mp -78.23 -48.15 16.43 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -46.5 -42.73 16.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -64.47 -42.86 95.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.187 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.115 -179.851 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 23' ' ' VAL . 3.2 mm100 . . . . . 0 N--CA 1.461 0.103 0 CA-C-O 120.871 0.367 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 22' ' ' VAL . 27.5 p -155.78 154.05 30.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -155.67 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.579 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 89.7 mtm-85 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.329 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.717 0.294 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -90.81 89.5 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.9 m-85 -62.46 133.66 55.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.136 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.88 ' HA ' HG22 ' B' ' 6' ' ' THR . 56.7 t -57.84 -47.28 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' TYR . 21.3 t 65.72 133.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.187 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -73.87 -55.97 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.42 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt 179.64 136.75 0.11 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.5 130.48 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.131 179.145 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.818 HD21 ' HB2' ' A' ' 41' ' ' LYS . 2.7 mm? -86.87 -71.43 0.55 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.971 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.5 m-20 -124.96 143.88 50.66 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB2' ' HE2' ' A' ' 67' ' ' PHE . 78.4 ttt180 -97.76 146.86 24.96 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 45.2 ttt85 -154.31 160.82 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.077 0.465 . . . . 0.0 111.652 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 36' ' ' VAL . 19.1 t -150.38 131.2 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.977 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 33' ' ' LYS . 19.6 m -98.63 -129.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' HG23 ' A' ' 32' ' ' VAL . 24.3 pttm -52.2 -21.75 3.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.654 0.264 . . . . 0.0 111.271 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.47 -26.97 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.141 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 31' ' ' VAL . 58.9 mtpt -60.39 159.38 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.051 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.678 ' HA ' HG22 ' A' ' 31' ' ' VAL . 3.3 t -122.46 89.7 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.729 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.631 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -88.62 130.69 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 111.554 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 43.0 m-85 -114.44 130.68 56.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.669 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.971 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 11.6 tp -74.88 141.85 44.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.4 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 26' ' ' VAL . 67.5 mt -139.88 135.63 33.09 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.818 ' HB2' HD21 ' A' ' 27' ' ' LEU . 28.0 tptp -89.22 73.22 8.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.562 ' NE1' ' HB ' ' A' ' 51' ' ' THR . 29.0 m95 -52.93 129.92 31.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.355 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.585 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -66.82 150.66 48.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.611 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.19 -49.66 3.58 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.686 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -68.47 140.65 55.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.322 . . . . 0.0 110.801 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m -53.17 151.12 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 10.9 m-20 -52.05 -38.54 57.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.86 -29.28 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.582 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.47 42.34 0.12 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.803 ' HB3' HD11 ' A' ' 39' ' ' LEU . 5.7 m120 -68.55 142.78 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.572 0.225 . . . . 0.0 110.48 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.562 ' HB ' ' NE1' ' A' ' 42' ' ' TRP . 66.9 m -143.19 129.06 19.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.177 0.513 . . . . 0.0 111.529 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.582 ' NE1' HD13 ' A' ' 39' ' ' LEU . 13.1 m95 -93.71 138.71 31.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.032 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 58' ' ' LEU . 58.1 mm-40 -119.09 143.92 34.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.913 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.532 ' HD2' HD22 ' A' ' 57' ' ' ASN . 47.7 Cg_endo -67.11 26.9 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.822 2.348 . . . . 0.0 114.7 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.547 ' CA ' HD23 ' A' ' 58' ' ' LEU . 34.6 tt0 68.72 -42.05 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -57.82 -44.54 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.532 HD22 ' HD2' ' A' ' 54' ' ' PRO . 75.8 m-80 -65.89 -27.03 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.389 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -54.14 108.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.196 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.585 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -85.49 -22.86 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 109.498 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.635 ' SG ' HD12 ' A' ' 63' ' ' LEU . 11.5 p -93.42 102.76 8.1 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 59' ' ' ASP . 82.1 Cg_endo -78.8 -33.78 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.182 1.921 . . . . 0.0 112.045 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -54.71 -42.66 71.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.948 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.635 HD12 ' SG ' ' A' ' 60' ' ' CYS . 41.5 mt -59.68 -51.47 69.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.625 0.25 . . . . 0.0 111.401 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 77.2 mt -52.22 -46.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.632 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -64.93 -41.09 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.579 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -54.85 -46.8 74.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.428 ' HE2' ' HB2' ' A' ' 29' ' ' ARG . 15.8 t80 -65.64 -45.23 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.58 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 79.7 mt -63.13 -26.96 69.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.2 mm-40 -48.83 -43.32 38.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.56 0.219 . . . . 0.0 111.455 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 p -57.18 -43.96 83.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.613 179.495 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.563 ' C ' ' HB3' ' A' ' 60' ' ' CYS . 76.7 mt-30 . . . . . 0 CA--C 1.533 0.308 0 CA-C-O 120.178 0.037 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.88 HG22 ' HA ' ' A' ' 22' ' ' VAL . 29.1 p 63.43 129.72 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.047 0.539 . . . . 0.0 112.372 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . . . -100.18 -132.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' B' ' 7' ' ' ALA . 31.8 ttm180 . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -70.54 131.42 43.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.839 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 23' ' ' VAL . 4.1 m-85 -101.93 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.222 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.513 ' HA ' HG22 ' B' ' 6' ' ' THR . 46.3 t -54.69 -46.54 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.554 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 21' ' ' TYR . 17.4 t 64.48 127.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.368 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -79.22 -48.67 13.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -178.94 138.2 0.15 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.487 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.856 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -63.49 130.73 28.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.749 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 96.2 mt -79.95 -61.43 1.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.641 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.98 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 75.9 m-20 -133.85 -159.17 0.94 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.416 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 33.4 ttp180 -163.89 127.2 2.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.213 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 38.2 ptt85 -157.02 137.39 12.93 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 35' ' ' LYS . 59.8 t -85.4 140.49 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.049 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.7 HG23 ' HG2' ' A' ' 33' ' ' LYS . 27.7 m -93.97 -41.98 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 111.748 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.7 ' HG2' HG23 ' A' ' 32' ' ' VAL . 22.7 pttm -171.91 61.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.561 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.2 -22.81 27.61 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.611 ' HB2' HG22 ' A' ' 32' ' ' VAL . 14.2 mmmm -73.04 -151.25 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.149 0.5 . . . . 0.0 110.345 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.5 p -172.45 136.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.126 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -152.11 131.48 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.461 ' HB2' HD11 ' A' ' 58' ' ' LEU . 7.4 m-85 -106.48 130.32 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.143 0.497 . . . . 0.0 112.206 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.98 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 16.6 tp -65.32 139.75 58.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.856 HD23 ' HA ' ' A' ' 26' ' ' VAL . 29.7 mt -142.22 133.41 26.17 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 7.7 tmtm? -81.72 86.03 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.524 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.427 ' HH2' ' OE1' ' A' ' 53' ' ' GLU . 73.3 m95 -61.96 130.14 44.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.443 -178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -66.22 142.45 57.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.308 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -42.74 2.21 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.956 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.445 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 1.9 m-85 -73.79 131.67 41.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 57.9 m -59.7 157.02 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -50.54 -29.84 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 15.4 pt-20 -67.49 -40.61 85.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.223 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.466 ' OD1' ' HG3' ' A' ' 48' ' ' GLU . 37.2 m-20 -77.05 33.25 0.15 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -90.2 141.13 29.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.714 0.292 . . . . 0.0 110.752 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -144.62 132.89 21.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.082 0.467 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.545 ' NE1' HD13 ' A' ' 39' ' ' LEU . 11.1 m95 -72.9 111.13 7.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.726 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.534 ' HB3' HD21 ' A' ' 58' ' ' LEU . 86.3 tt0 -94.54 136.34 23.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.746 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.864 ' HG2' HD22 ' A' ' 57' ' ' ASN . 10.9 Cg_endo -54.73 133.99 60.24 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 44.1 tt0 -55.42 -33.07 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -50.48 -49.71 54.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.031 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.864 HD22 ' HG2' ' A' ' 54' ' ' PRO . 77.4 m-20 -73.49 -33.9 65.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.02 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 53' ' ' GLU . 24.6 mt -53.6 134.56 41.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.992 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -121.92 39.22 3.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.133 0.492 . . . . 0.0 110.247 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.82 ' HB2' HD13 ' A' ' 63' ' ' LEU . 25.0 p -131.49 59.96 49.02 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.347 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 52.8 Cg_exo -54.48 -35.88 86.6 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.473 2.115 . . . . 0.0 112.032 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 65.6 t0 -58.62 -50.86 72.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.719 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.82 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -63.91 -43.59 95.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.603 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 74.8 mt -55.14 -42.16 63.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.604 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.5 mt-10 -57.11 -43.39 82.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.5 t80 -65.62 -44.22 87.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.2 mt -64.08 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.211 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 85.0 mt-30 -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -85.89 34.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 -179.822 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.746 HE21 ' HA ' ' A' ' 60' ' ' CYS . 2.9 mm100 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.709 0.29 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 22' ' ' VAL . 69.3 p 53.5 -154.32 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.196 0.522 . . . . 0.0 112.247 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.56 -119.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.986 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.451 ' HB3' ' OE2' ' A' ' 53' ' ' GLU . 26.5 ttt85 . . . . . 0 N--CA 1.464 0.243 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 38.8 tt0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 121.049 0.452 . . . . 0.0 111.652 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.543 ' HG3' ' HE ' ' B' ' 8' ' ' ARG . 49.5 mt-10 -78.52 131.32 36.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.512 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 6.6 m-85 -121.09 134.45 55.26 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 110.731 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.624 ' HB ' ' HE3' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -55.38 138.52 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.247 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.821 HG21 HD22 ' A' ' 40' ' ' LEU . 8.3 p -134.66 138.04 50.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 111.439 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -74.08 -56.77 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.424 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.964 ' HA ' HD23 ' A' ' 63' ' ' LEU . 88.1 tttt -175.2 146.79 0.86 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.778 ' HA ' HD23 ' A' ' 40' ' ' LEU . 23.8 m -65.49 136.03 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 2.9 mm? -90.46 -19.32 24.02 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 19.0 t70 -179.64 -150.96 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.609 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.509 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 39.6 ptt180 -168.6 138.02 2.32 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.4 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.632 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.7 ptm180 -155.57 133.34 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.086 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -84.66 129.99 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.994 0.426 . . . . 0.0 111.597 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 35' ' ' LYS . 14.5 m -89.99 -124.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.615 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' HG23 ' A' ' 32' ' ' VAL . 18.4 ptpt -54.02 -24.39 16.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.139 0.495 . . . . 0.0 109.962 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.02 -25.97 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 32' ' ' VAL . 95.2 mttt -83.75 139.3 32.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.41 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.664 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 14.4 p -85.9 133.93 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.6 pt-20 -123.26 128.93 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.776 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 9.9 m-85 -102.29 123.8 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.25 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.969 HD11 ' HB3' ' A' ' 50' ' ' ASN . 16.1 tp -57.79 147.01 29.53 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.821 HD22 HG21 ' A' ' 23' ' ' VAL . 97.4 mt -147.01 128.91 15.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -84.89 103.86 14.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.529 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.795 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 68.2 m95 -82.23 130.11 35.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 111.953 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.624 ' HE3' ' HB ' ' A' ' 22' ' ' VAL . 10.3 mtmp? -65.07 146.45 54.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.285 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.27 3.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.403 ' H ' ' HD1' ' A' ' 45' ' ' PHE . 1.9 m-85 -68.83 140.47 55.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.513 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 54.7 m -49.76 138.17 14.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.68 -40.05 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.036 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -56.89 -32.64 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.513 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -74.83 37.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.969 ' HB3' HD11 ' A' ' 39' ' ' LEU . 65.5 m-20 -67.67 143.25 56.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 178.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.9 m -141.23 125.11 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.69 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.684 ' NE1' HD13 ' A' ' 39' ' ' LEU . 7.7 m95 -80.38 147.83 30.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.288 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.676 ' HB2' HD21 ' A' ' 58' ' ' LEU . 72.9 mm-40 -142.67 143.97 28.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.898 ' HG2' HD22 ' A' ' 57' ' ' ASN . 9.5 Cg_endo -52.91 132.21 46.04 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.567 2.178 . . . . 0.0 111.798 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.476 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 pt-20 -55.62 -34.41 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -52.75 -51.74 59.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.687 0.279 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.898 HD22 ' HG2' ' A' ' 54' ' ' PRO . 80.4 m-20 -70.27 -34.89 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.665 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 53' ' ' GLU . 14.5 mt -51.42 120.51 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.032 0.444 . . . . 0.0 111.627 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.52 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.9 t70 -100.09 48.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.764 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.025 ' HB2' HD13 ' A' ' 63' ' ' LEU . 26.4 p -150.22 60.98 4.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.329 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.0 Cg_exo -54.46 -33.37 77.37 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.433 2.089 . . . . 0.0 112.025 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 8.8 t70 -55.98 -43.62 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.994 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 1.025 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.7 mp -65.89 -41.06 92.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.939 0.4 . . . . 0.0 110.215 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.571 ' O ' HD13 ' A' ' 68' ' ' LEU . 45.9 mm -56.38 -45.42 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.892 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.63 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.73 -44.55 93.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 97.4 mt-10 -51.42 -41.16 60.57 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.746 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.565 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 36.3 t80 -60.16 -57.53 12.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.278 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 64' ' ' ILE . 6.4 mp -60.61 -25.76 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 12.2 mm100 -50.19 -49.53 52.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.7 p -65.16 -39.37 92.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.617 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.545 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.911 0.386 . . . . 0.0 111.428 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 22' ' ' VAL . 52.5 p -150.83 128.1 11.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.21 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.795 ' HB3' ' HH2' ' A' ' 42' ' ' TRP . . . -117.56 123.78 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.188 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.543 ' HE ' ' HG3' ' A' ' 20' ' ' GLU . 99.6 mtt180 . . . . . 0 N--CA 1.464 0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.041 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 120.757 0.313 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 38.3 mt-10 -68.82 132.78 47.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.367 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.88 130.03 44.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.393 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.5 t -52.95 118.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.773 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HB ' ' CZ3' ' A' ' 42' ' ' TRP . 7.1 p -119.9 135.11 61.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.242 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.82 -54.2 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.955 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -177.55 150.35 0.68 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.323 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.924 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -69.09 137.04 25.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.185 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 97.3 mt -92.84 -45.65 7.9 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.466 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.691 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 29.5 t0 -151.3 -160.83 1.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.546 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.482 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.3 ptt85 -168.79 135.77 1.89 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.305 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 40.1 ptt85 -156.2 134.58 11.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.041 0.448 . . . . 0.0 111.644 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -75.05 147.14 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.029 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.77 HG23 ' HG2' ' A' ' 33' ' ' LYS . 26.9 m -127.72 -33.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.5 ptmt -164.18 51.57 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.884 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.9 5.98 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.634 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -85.88 144.78 27.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 111.015 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -107.24 105.65 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.235 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 22.7 pt-20 -89.48 129.4 35.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.611 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.473 ' HB2' HD11 ' A' ' 58' ' ' LEU . 5.8 m-85 -106.7 131.18 54.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.234 0.54 . . . . 0.0 111.968 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.691 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 10.7 tp -64.49 143.44 57.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.986 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.924 HD23 ' HA ' ' A' ' 26' ' ' VAL . 72.3 mt -149.96 134.12 17.15 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 23' ' ' VAL . 40.7 ttmt -91.2 141.04 29.23 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.721 178.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.62 ' CZ3' ' HB ' ' A' ' 23' ' ' VAL . 10.8 m95 -126.22 136.28 52.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.07 0.462 . . . . 0.0 111.736 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.595 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -60.09 147.1 40.64 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.5 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.11 -52.9 4.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.606 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.08 141.09 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.707 0.289 . . . . 0.0 110.591 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 t -50.9 143.06 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 64.3 t0 -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 48' ' ' GLU . 8.7 mp0 -58.64 -25.82 63.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.461 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -73.59 34.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.536 ' HB3' HD11 ' A' ' 39' ' ' LEU . 74.3 m-20 -72.93 141.36 47.83 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 48.4 p -129.66 128.41 42.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.673 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.7 m95 -80.97 108.97 15.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.591 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.766 ' HB2' HD21 ' A' ' 58' ' ' LEU . 31.0 mt-10 -100.9 150.31 36.93 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.348 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 38.4 Cg_exo -55.23 136.73 74.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.141 1.894 . . . . 0.0 111.7 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.99 -39.73 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.62 -44.91 89.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.809 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.584 ' HA ' HH21 ' B' ' 8' ' ' ARG . 3.9 m120 -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 53' ' ' GLU . 6.3 mt -59.46 127.79 33.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 111.643 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.926 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.0 t70 -102.28 49.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.332 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.668 ' HB2' ' HG3' ' B' ' 5' ' ' GLN . 24.0 p -163.23 65.47 1.51 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.442 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HA ' HD13 ' A' ' 64' ' ' ILE . 10.8 Cg_endo -53.77 -27.28 42.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.756 2.304 . . . . 0.0 112.112 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 55.2 m-20 -53.29 -46.9 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.6 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 66.5 mt -61.94 -44.75 96.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.241 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.583 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 mp -52.34 -45.93 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.986 0.422 . . . . 0.0 110.471 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -68.65 -41.61 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.015 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 54.0 mt-10 -59.72 -40.39 87.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.782 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.433 ' HB2' HG22 ' A' ' 26' ' ' VAL . 16.1 t80 -69.26 -45.84 68.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.7 mt -63.32 -20.72 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.95 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 3.4 mm100 -48.83 -43.48 38.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.666 0.27 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.7 m -56.66 -47.28 80.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.064 0.459 . . . . 0.0 109.896 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.329 179.107 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' A' ' 60' ' ' CYS . 13.1 mp0 . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.638 0.256 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.7 p -150.15 -35.33 0.16 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.926 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . 60.0 -152.63 0.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.584 HH21 ' HA ' ' A' ' 57' ' ' ASN . 84.8 mtm180 . . . . . 0 N--CA 1.465 0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.363 179.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.618 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 55.9 mt-10 . . . . . 0 CA--C 1.528 0.124 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -79.29 76.35 5.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.892 -179.715 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.618 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 5.7 m-85 -61.09 132.75 54.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 110.567 179.256 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.0 t -59.77 137.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.47 HG21 ' HB3' ' B' ' 7' ' ' ALA . 47.8 t -125.6 125.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.926 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -76.63 -46.0 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 4.9 ttmp? -174.33 140.69 0.67 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.042 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.901 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -67.97 130.01 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.828 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 91.6 mt -77.75 -50.72 11.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.536 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 30.9 t0 -149.58 -151.66 0.4 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.288 -0.565 . . . . 0.0 112.035 -179.323 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 42.5 ttp180 -163.97 134.67 4.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.104 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 14.6 ptm180 -156.14 147.28 22.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.725 179.014 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 36' ' ' VAL . 8.6 p -135.96 141.3 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.607 179.307 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.859 HG23 ' HG3' ' A' ' 33' ' ' LYS . 14.3 m -119.72 -33.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.517 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.859 ' HG3' HG23 ' A' ' 32' ' ' VAL . 52.4 mttp -145.24 51.29 1.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.81 -8.31 7.92 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.571 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HD2' HG22 ' A' ' 32' ' ' VAL . 8.6 ptpt -89.0 43.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.759 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 36' ' ' VAL . 7.7 p -36.32 95.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.363 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' A' ' 52' ' ' TRP . 13.8 pt-20 -89.11 126.66 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.581 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.537 ' HB2' HD11 ' A' ' 58' ' ' LEU . 15.0 m-85 -97.01 133.78 41.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.647 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.828 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.184 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.901 HD23 ' HA ' ' A' ' 26' ' ' VAL . 94.6 mt -143.23 129.81 20.19 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.648 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 3.6 tmmm? -85.49 110.16 18.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -92.0 140.39 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -62.52 146.09 52.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.274 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -43.58 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.023 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.411 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 2.6 m-85 -78.84 128.77 33.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.61 172.98 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.589 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 35.5 t70 -56.57 -42.47 78.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.3 -40.32 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 1.1 m-20 -62.37 -24.71 67.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.242 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 85.9 m-20 -45.39 145.85 1.11 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 111.45 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -144.83 130.59 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.409 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.779 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 5.4 m95 -69.32 128.89 38.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 -179.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.682 ' HB2' HD21 ' A' ' 58' ' ' LEU . 55.9 mm-40 -114.78 145.91 34.94 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.495 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.7 Cg_endo -54.66 134.61 63.24 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.44 2.093 . . . . 0.0 111.691 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 42.1 tt0 -52.7 -40.18 62.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.547 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.88 -46.87 74.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.477 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 2.8 m120 -64.4 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.96 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' A' ' 53' ' ' GLU . 12.1 mt -58.7 130.09 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.654 -178.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -111.82 43.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.61 178.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.683 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 56.3 m -125.8 61.39 38.17 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 59' ' ' ASP . 50.3 Cg_exo -53.67 -42.57 65.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.36 2.04 . . . . 0.0 112.556 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.47 ' H ' HE21 ' B' ' 5' ' ' GLN . 64.8 t0 -67.29 -48.72 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.405 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 43.2 mt -60.47 -45.05 95.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.342 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 60' ' ' CYS . 80.0 mt -55.31 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -55.26 -38.47 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 179.063 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 17.7 tp10 -58.61 -33.5 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.42 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.477 ' HB2' HG22 ' A' ' 26' ' ' VAL . 46.1 t80 -72.67 -55.63 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.667 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -64.06 -45.23 89.7 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 28.1 mt-30 -53.51 -42.82 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.589 0.233 . . . . 0.0 111.287 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.099 0.476 . . . . 0.0 110.348 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.911 179.719 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.683 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 12.2 mm100 . . . . . 0 N--CA 1.46 0.062 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.5 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 43.6 p 59.42 141.43 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.597 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.47 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -135.64 119.54 17.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.938 178.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 83.0 mtm180 . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.302 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 5.5 tp10 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.663 0.268 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.8 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 40.7 mt-10 -81.65 117.55 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.006 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.22 131.35 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.712 179.516 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.647 ' HA ' HG22 ' B' ' 6' ' ' THR . 51.3 t -62.11 123.07 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 111.406 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 40' ' ' LEU . 58.9 t -96.66 128.32 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 179.296 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -72.68 -49.54 30.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD22 ' A' ' 63' ' ' LEU . 4.2 tppp? -178.41 135.63 0.15 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.491 0.662 . . . . 0.0 111.161 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.07 125.49 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.714 ' HB2' HD13 ' A' ' 39' ' ' LEU . 91.2 mt -86.24 -53.4 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.623 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 55.8 t0 -155.57 146.33 22.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.383 -0.527 . . . . 0.0 112.186 -178.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -96.84 146.34 25.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.129 179.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 78.0 ttt180 -153.96 161.82 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.081 0.467 . . . . 0.0 111.486 -178.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 t -147.95 138.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.373 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 p -156.61 128.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.639 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.614 ' HB2' ' NZ ' ' A' ' 33' ' ' LYS . 4.9 ttmp? 61.13 37.01 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.367 0.603 . . . . 0.0 109.857 -178.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.83 -23.76 2.97 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.566 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.37 148.63 27.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 111.142 -179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' A' ' 38' ' ' TYR . 3.1 t -115.52 78.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.613 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 12.5 pt-20 -87.58 126.61 35.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.49 . . . . 0.0 111.205 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.618 ' HB2' HD11 ' A' ' 58' ' ' LEU . 25.0 m-85 -110.02 145.73 36.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.387 178.24 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -88.35 137.02 32.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.784 -179.731 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' LEU . 1.8 mm? -129.06 135.15 48.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.578 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -86.1 65.68 9.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.693 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 47.7 m95 -45.04 131.99 7.16 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 -178.522 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 14.6 ptmm? -63.25 143.69 57.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.895 -179.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.03 -40.68 1.91 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.106 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 m-85 -74.15 133.24 42.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 111.231 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -61.11 165.91 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.542 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 12.0 p-10 -53.03 -46.22 68.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.826 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.6 -37.59 87.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.408 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.415 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . 53.3 m-20 -56.32 -32.45 64.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.447 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.693 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 83.1 m-20 -45.66 143.45 1.98 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 110.926 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.568 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 5.9 t -135.88 132.58 36.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.811 -179.847 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.674 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 7.0 m95 -70.61 131.1 43.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' A' ' 58' ' ' LEU . 40.5 tt0 -126.84 136.92 29.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.073 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.683 ' HG2' HD22 ' A' ' 57' ' ' ASN . 11.5 Cg_endo -54.38 137.54 72.02 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.537 2.158 . . . . 0.0 111.957 179.763 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.456 ' HA ' HD12 ' A' ' 58' ' ' LEU . 4.8 tm-20 -51.05 -33.82 27.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.489 -179.356 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -49.75 -52.49 31.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.505 -179.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.683 HD22 ' HG2' ' A' ' 54' ' ' PRO . 75.0 m-20 -75.18 -32.98 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.279 -179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 53' ' ' GLU . 26.4 mt -50.26 156.5 0.82 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.249 0.547 . . . . 0.0 111.921 -179.074 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' B' ' 5' ' ' GLN . 56.4 m-20 -142.93 45.21 1.58 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.575 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.679 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 78.7 m -132.51 54.91 15.1 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.27 -38.75 89.52 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.234 1.956 . . . . 0.0 111.907 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -63.51 -48.13 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.593 HD22 ' HE2' ' A' ' 25' ' ' LYS . 43.8 mt -64.3 -45.32 88.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.042 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 60' ' ' CYS . 87.6 mt -53.1 -38.74 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.18 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.47 -45.65 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.273 178.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.5 -39.31 83.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.807 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.53 -46.9 85.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.197 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.37 -38.71 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.715 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 27.6 mt-30 -52.36 -38.73 59.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.352 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.0 t -56.72 -49.04 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.009 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.991 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.679 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 10.2 mm100 . . . . . 0 N--CA 1.463 0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.887 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.647 HG22 ' HA ' ' A' ' 22' ' ' VAL . 72.6 p -119.38 -162.31 0.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -174.11 43.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.979 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.8 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 61.1 mtt-85 . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.376 179.048 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -82.19 79.32 8.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.5 m-85 -60.12 140.68 56.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.608 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.698 ' HA ' HG22 ' B' ' 6' ' ' THR . 54.4 t -58.32 -39.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.474 -179.357 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' B' ' 7' ' ' ALA . 21.0 t 67.07 135.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.387 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 39.3 tt0 -78.5 -60.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.56 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.596 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 5.8 ttpm? 175.73 146.91 0.09 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.594 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.742 ' HA ' HD23 ' A' ' 40' ' ' LEU . 30.8 m -61.31 130.54 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.647 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 39' ' ' LEU . 93.8 mt -86.45 -19.85 29.0 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' HB2' ' CH2' ' A' ' 52' ' ' TRP . 49.5 m-20 -160.39 -154.5 0.38 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 29' ' ' ARG . 44.7 ttp85 -169.0 113.84 0.57 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.485 -179.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.9 ptt180 -155.86 126.91 7.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.994 178.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.922 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 13.2 p -88.41 142.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.153 0.502 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.4 m -139.02 143.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.018 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HE2' ' HZ2' ' A' ' 35' ' ' LYS . 24.4 pttm 45.24 40.74 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.522 0.514 . . . . 0.0 111.667 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.89 -26.25 6.85 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.665 0.626 . . . . 0.0 114.665 178.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.734 ' C ' HG23 ' A' ' 31' ' ' VAL . 8.9 ptpp? -104.68 128.79 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.726 0.763 . . . . 0.0 111.609 -178.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.922 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 2.7 t -72.47 124.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.936 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -106.5 127.04 53.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 110.542 178.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.479 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 54.6 m-85 -108.97 121.84 45.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.007 179.78 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 19.5 tp -59.92 142.05 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.646 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 26' ' ' VAL . 93.0 mt -144.45 130.98 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 6.0 tmtm? -80.33 75.92 7.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.273 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.433 ' HZ2' ' HB2' ' A' ' 53' ' ' GLU . 56.7 m95 -52.34 124.05 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.774 -178.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -55.6 142.67 32.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.218 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.31 -43.09 2.46 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 2.5 m-85 -72.96 137.65 45.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.892 0.377 . . . . 0.0 111.306 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.41 154.95 9.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.01 -34.99 31.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.91 -38.63 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 31.0 m-20 -60.68 -18.44 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.612 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.629 ' ND2' ' HA ' ' A' ' 41' ' ' LYS . 3.0 m120 -43.11 144.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 111.43 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -146.61 130.71 17.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.447 -179.241 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.589 ' NE1' HD13 ' A' ' 39' ' ' LEU . 11.2 m95 -70.34 119.53 14.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.783 179.412 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.663 ' HB3' HD21 ' A' ' 58' ' ' LEU . 20.4 tp10 -109.55 130.85 22.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.32 -179.04 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.706 ' HG2' HD22 ' A' ' 57' ' ' ASN . 11.8 Cg_endo -55.32 140.0 81.65 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.718 2.279 . . . . 0.0 112.062 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 58' ' ' LEU . 4.5 tm-20 -53.35 -35.28 60.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.413 -179.503 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -51.37 -49.46 61.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.706 HD22 ' HG2' ' A' ' 54' ' ' PRO . 80.6 m-20 -71.05 -36.74 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.042 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 53' ' ' GLU . 23.8 mt -52.38 129.37 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.398 -179.189 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -117.58 45.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' B' ' 6' ' ' THR . 24.7 p -160.26 62.1 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.084 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . 0.792 ' HA ' HD13 ' A' ' 64' ' ' ILE . 61.9 Cg_exo -51.84 -24.94 19.81 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.15 -39.13 63.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 25' ' ' LYS . 81.6 mt -69.38 -40.38 77.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.717 0.294 . . . . 0.0 110.392 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.792 HD13 ' HA ' ' A' ' 61' ' ' PRO . 2.4 mp -57.68 -47.6 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.744 179.167 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.44 -41.42 96.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.272 179.078 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -55.55 -39.32 70.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.577 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 20.1 t80 -58.09 -56.94 15.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.653 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.5 mp -60.5 -42.97 97.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.496 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 73.9 mt-30 -52.65 -38.91 61.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 110.115 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.4 t -63.5 -44.15 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.076 179.155 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.168 -179.791 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.435 HE21 ' HA ' ' B' ' 5' ' ' GLN . 2.5 mm100 . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.588 0.232 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 22' ' ' VAL . 37.8 p -155.98 140.73 17.06 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.581 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.868 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -135.04 120.44 19.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.159 178.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.512 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 83.9 mtm180 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.449 -179.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 89.1 tt0 . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 120.721 0.296 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' B' ' 6' ' ' THR . 52.4 mt-10 -74.15 135.05 42.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.571 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.43 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 7.2 m-85 -124.88 139.49 53.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.411 . . . . 0.0 111.484 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.18 144.65 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.158 179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.818 HG21 HD23 ' A' ' 40' ' ' LEU . 5.9 p -153.11 128.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.479 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.78 -52.65 14.17 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -172.96 146.11 1.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.146 -0.221 . . . . 0.0 111.507 -178.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.634 HG12 ' HG ' ' A' ' 40' ' ' LEU . 25.2 m -63.66 135.47 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 41' ' ' LYS . 94.0 mt -76.17 -23.78 54.74 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.252 179.601 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 30.2 t0 -174.67 -145.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.52 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.499 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 74.2 ttt180 -168.47 139.89 2.7 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.094 -179.026 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.482 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.1 ptm180 -155.41 150.05 26.28 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.077 0.465 . . . . 0.0 111.964 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -121.05 127.37 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.376 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.677 HG23 ' HG2' ' A' ' 33' ' ' LYS . 33.6 m -92.87 -42.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 111.674 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.677 ' HG2' HG23 ' A' ' 32' ' ' VAL . 24.3 pttm -170.11 50.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.242 0.544 . . . . 0.0 109.77 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.25 -27.35 15.93 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -178.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HB2' HG22 ' A' ' 32' ' ' VAL . 30.0 mmmt -64.42 153.06 39.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.542 -0.329 . . . . 0.0 110.362 179.405 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.597 HG12 ' CE1' ' A' ' 38' ' ' TYR . 3.3 t -124.42 70.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.218 -179.335 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.1 pt-20 -88.02 131.4 34.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.088 0.47 . . . . 0.0 111.658 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.597 ' CE1' HG12 ' A' ' 36' ' ' VAL . 50.8 m-85 -113.7 144.69 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.968 179.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HG ' HD12 ' A' ' 27' ' ' LEU . 21.2 tp -87.48 149.77 24.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 23' ' ' VAL . 4.2 mp -148.16 137.46 22.11 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.905 -179.279 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 27' ' ' LEU . 17.0 tppt? -83.72 72.62 10.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.074 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.691 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 59.2 m95 -55.33 133.44 49.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.209 0.528 . . . . 0.0 111.708 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -67.55 142.82 56.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.742 -179.511 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.86 -45.8 2.79 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.645 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.79 135.8 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.474 ' HB2' ' OE2' ' A' ' 48' ' ' GLU . 51.7 m -55.68 150.42 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.411 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 2.5 p30 -54.92 -39.7 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' A' ' 46' ' ' SER . 1.1 pp20? -62.41 -29.27 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.59 -29.61 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.653 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 82.1 m-20 -43.48 141.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 -179.322 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -142.76 131.47 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.952 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.7 m95 -66.79 140.89 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.786 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.828 ' HG3' HD21 ' A' ' 58' ' ' LEU . 5.1 pt-20 -141.74 141.76 23.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -178.141 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.699 ' HG2' HD22 ' A' ' 57' ' ' ASN . 10.9 Cg_endo -54.25 139.62 72.7 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.147 2.565 . . . . 0.0 112.658 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.8 tt0 -58.8 -24.67 62.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.922 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -57.95 -51.65 68.77 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.699 HD22 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -69.44 -34.43 74.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.543 -179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.828 HD21 ' HG3' ' A' ' 53' ' ' GLU . 7.7 mt -54.49 125.43 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.791 -178.477 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.85 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 32.7 t70 -107.38 44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.286 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.0 p -164.09 60.67 0.86 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.47 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.6 -24.23 35.85 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.604 2.203 . . . . 0.0 111.877 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.598 ' HB2' ' NE2' ' B' ' 5' ' ' GLN . 1.5 m-20 -52.77 -38.58 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.798 HD21 ' HG3' ' B' ' 5' ' ' GLN . 50.7 mt -66.64 -46.35 76.06 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 179.807 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 86.3 mt -55.55 -48.12 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.494 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.593 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -66.02 -39.56 90.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.964 178.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -58.59 -42.56 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.673 179.637 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.2 t80 -63.72 -45.05 91.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.436 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 73.9 mt -65.04 -39.75 93.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.687 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.3 mm-40 -53.97 -35.92 62.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.305 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -55.4 -51.51 66.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.789 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.798 ' HG3' HD21 ' A' ' 63' ' ' LEU . 10.7 mm100 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.717 0.294 . . . . 0.0 110.6 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 34.6 p -138.66 121.56 16.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.85 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -91.28 -15.74 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.415 ' HG3' HH11 ' B' ' 8' ' ' ARG . 46.6 ttm-85 . . . . . 0 N--CA 1.466 0.342 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.791 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.4 tt0 . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 121.203 0.525 . . . . 0.0 112.295 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.553 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 1.3 mp0 -68.81 77.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.353 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -61.07 140.58 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.563 ' HA ' HG22 ' B' ' 6' ' ' THR . 40.8 t -55.64 142.85 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.674 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.99 HG11 HD23 ' A' ' 40' ' ' LEU . 95.3 t -138.66 133.48 42.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.8 179.731 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.99 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HD3' HD22 ' A' ' 63' ' ' LEU . 46.3 mmtm -156.57 144.51 19.46 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 111.489 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' A' ' 67' ' ' PHE . 6.5 t -64.89 117.93 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.716 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 7.5 mp -75.22 -59.46 2.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 38.5 t70 -164.06 150.59 11.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 29' ' ' ARG . 36.2 ptt85 -112.83 148.01 35.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.817 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.564 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.22 147.23 23.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.013 0.435 . . . . 0.0 112.061 -179.351 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 35' ' ' LYS . 39.0 t -108.72 133.31 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.023 178.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.742 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -80.85 -37.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.941 0.401 . . . . 0.0 111.62 -179.428 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HG2' HG23 ' A' ' 32' ' ' VAL . 18.4 ptpt -165.91 -30.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.3 0.572 . . . . 0.0 110.015 -179.769 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.39 -17.47 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.426 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.545 ' O ' HG13 ' A' ' 31' ' ' VAL . 12.8 mmmm -71.95 -161.83 0.08 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 6.4 t -153.71 137.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.179 179.407 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.648 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 16.7 pt-20 -152.15 132.43 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.205 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 5.1 m-85 -114.37 143.92 44.11 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.615 -179.708 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.886 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.48 134.41 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.746 179.285 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.99 HD23 HG11 ' A' ' 23' ' ' VAL . 6.4 mp -140.87 132.41 27.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.566 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.674 ' HB2' HD11 ' A' ' 27' ' ' LEU . 48.0 tptt -79.06 107.05 11.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.494 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.6 m95 -81.18 131.79 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 111.004 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -70.56 144.6 51.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.453 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.27 -50.25 3.95 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.11 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' H ' ' HD1' ' A' ' 45' ' ' PHE . 2.0 m-85 -62.65 145.38 54.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.616 0.246 . . . . 0.0 110.655 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.493 ' OG ' ' HB2' ' A' ' 49' ' ' ASP . 78.9 p -48.93 144.96 4.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.537 ' HB3' ' HZ1' ' A' ' 41' ' ' LYS . 27.6 m-20 -55.21 -45.29 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.406 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.83 -19.31 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.476 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 54.3 t0 -75.23 41.52 0.18 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.114 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.652 ' HB3' HD21 ' A' ' 39' ' ' LEU . 5.6 m120 -64.96 139.19 58.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.494 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 87.6 m -138.41 130.85 28.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.956 0.408 . . . . 0.0 111.556 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.733 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 11.9 m95 -95.46 128.93 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.305 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.648 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 42.8 mt-10 -95.41 144.81 28.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.677 ' HD2' HD22 ' A' ' 57' ' ' ASN . 56.0 Cg_endo -71.15 35.14 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.565 2.177 . . . . 0.0 114.246 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.561 ' C ' HD23 ' A' ' 58' ' ' LEU . 42.5 tt0 67.01 -35.13 0.24 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 178.611 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 23.0 pt-20 -71.21 -50.83 28.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.677 HD22 ' HD2' ' A' ' 54' ' ' PRO . 77.6 m-20 -59.59 -20.29 54.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.304 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD23 ' C ' ' A' ' 55' ' ' GLU . 0.9 OUTLIER -52.54 146.13 10.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.017 0.437 . . . . 0.0 111.373 -179.458 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.526 ' OD2' ' HG3' ' B' ' 8' ' ' ARG . 56.2 m-20 -151.55 46.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.097 179.564 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.537 ' HB2' ' HB2' ' B' ' 5' ' ' GLN . 25.4 p -145.06 62.17 8.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.537 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.86 -38.85 58.46 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.853 2.369 . . . . 0.0 112.351 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' B' ' 5' ' ' GLN . 2.2 p30 -60.3 -41.94 94.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.08 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 25' ' ' LYS . 42.0 mt -70.82 -45.01 65.35 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.775 0.321 . . . . 0.0 110.695 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.6 mt -52.98 -43.54 47.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.34 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.55 -41.01 93.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 27.4 t80 -62.39 -45.43 93.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.624 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.1 mt -76.1 -37.71 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -57.54 -39.88 77.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.5 t -59.41 -49.75 76.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.297 -179.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.288 -179.882 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.537 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 0.0 111.311 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 22' ' ' VAL . 30.0 p -148.72 -157.61 0.83 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.091 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.419 ' HB1' ' OE1' ' A' ' 53' ' ' GLU . . . 178.66 129.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.576 179.715 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 84.9 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.929 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.946 0.403 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.4 mmt 58.77 50.92 8.1 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.055 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.2 m -145.14 -147.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.05 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -65.84 133.53 51.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.696 0.284 . . . . 0.0 111.078 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -66.2 129.27 39.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -72.15 132.84 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.249 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 tt -176.07 46.69 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.003 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -176.58 140.64 0.36 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.725 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 66.44 135.59 0.02 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.307 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 39.7 tp10 -170.15 42.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.362 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' HG3' ' HA ' ' B' ' 10' ' ' SER . 8.6 mp0 -71.29 142.2 50.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.135 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.626 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.1 mt-10 -131.39 143.2 50.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -71.28 69.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.249 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.626 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 6.2 m-85 -61.44 138.42 58.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.688 0.28 . . . . 0.0 110.507 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.551 HG21 HH23 ' B' ' 4' ' ' MLY . 45.0 t -55.81 134.27 19.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' B' ' 7' ' ' ALA . 58.3 t -117.33 131.38 70.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -76.79 -53.94 7.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp 177.87 142.64 0.1 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.643 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.028 HG12 HD21 ' A' ' 40' ' ' LEU . 2.4 m -65.81 129.7 30.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.626 HD13 ' HG ' ' A' ' 39' ' ' LEU . 5.6 mp -78.46 -42.71 29.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.792 -178.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.452 ' HB2' ' CH2' ' A' ' 52' ' ' TRP . 55.2 m-20 -153.67 -146.25 0.19 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.994 0.426 . . . . 0.0 112.104 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.43 HH11 ' HG2' ' A' ' 29' ' ' ARG . 43.9 ttp85 -168.44 131.85 1.51 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.561 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.453 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.3 ptt180 -155.48 136.61 13.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.96 0.409 . . . . 0.0 111.434 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 35' ' ' LYS . 43.7 t -106.66 143.56 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.714 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.769 HG22 ' HG3' ' A' ' 33' ' ' LYS . 3.7 p -151.2 134.29 7.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.228 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.769 ' HG3' HG22 ' A' ' 32' ' ' VAL . 52.9 mttm 76.05 -37.15 0.3 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.66 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 144.92 -11.65 1.88 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.689 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 18.7 ptmt -79.74 -157.58 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.049 0.452 . . . . 0.0 111.244 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.674 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 46.3 t -148.7 138.57 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -152.6 130.61 11.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 111.528 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -115.18 130.05 56.81 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.083 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.626 ' HG ' HD13 ' A' ' 27' ' ' LEU . 9.8 tp -62.24 139.81 58.49 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.028 HD21 HG12 ' A' ' 26' ' ' VAL . 93.4 mt -143.88 130.55 20.19 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -177.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -83.57 123.42 29.75 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.25 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 21.6 m95 -101.12 131.75 46.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.1 0.476 . . . . 0.0 111.529 -178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 5.0 ttmp? -66.2 144.92 56.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.527 -179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.19 -49.19 3.73 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.781 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.09 139.54 44.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.82 0.343 . . . . 0.0 110.854 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.3 p -54.49 144.14 22.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.087 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.5 p-10 -55.26 -31.4 61.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -58.21 -30.1 66.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.199 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.42 41.66 0.25 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.714 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.435 ' HA ' HD22 ' A' ' 50' ' ' ASN . 4.9 m120 -70.52 143.09 51.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.838 0.351 . . . . 0.0 111.218 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.0 t -158.31 121.16 3.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.204 0.526 . . . . 0.0 110.887 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.455 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.7 m95 -77.34 112.3 13.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.483 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' B' ' 9' ' ' MLY . 50.2 mm-40 -95.25 146.11 30.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.469 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.674 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 13.5 Cg_endo -57.14 135.1 68.5 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.452 2.101 . . . . 0.0 111.862 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 38.6 tt0 -54.37 -42.55 70.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.562 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 11.7 pt-20 -55.03 -43.42 73.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.789 0.328 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.531 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 3.8 m120 -66.08 -37.67 86.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.639 HD21 ' HB2' ' A' ' 53' ' ' GLU . 15.1 mt -57.53 129.01 39.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -110.9 50.0 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.745 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' B' ' 5' ' ' GLN . 25.7 p -152.4 62.32 4.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.018 -179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.07 -33.13 82.5 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.609 2.206 . . . . 0.0 112.144 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.572 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 55.8 mt -63.71 -42.95 97.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.499 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.781 HD13 HG11 ' A' ' 26' ' ' VAL . 48.5 mm -55.03 -54.9 19.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.14 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -54.9 -36.55 65.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.578 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 9.8 tm-20 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.3 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.9 t80 -70.61 -52.39 21.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.092 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.1 mm? -73.07 -17.85 61.38 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.704 0.287 . . . . 0.0 111.417 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.587 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 52.4 tt0 -58.93 -37.61 77.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.446 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 p -80.19 -45.02 18.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.933 0.397 . . . . 0.0 111.295 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.23 -25.11 64.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.317 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 69' ' ' GLN . 14.9 ptmm? -65.95 -143.28 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.472 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.511 HG23 ' HG3' ' A' ' 72' ' ' LYS . 76.8 p 50.04 24.99 1.53 Allowed 'General case' 0 N--CA 1.462 0.132 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 176.87 -26.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 113.926 -1.488 . . . . 0.0 108.964 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.534 ' CB ' ' HA ' ' A' ' 72' ' ' LYS . 79.6 t60 -59.37 129.92 44.4 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.551 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' HG2' ' HB2' ' A' ' 78' ' ' ASP . 88.9 tt0 70.52 -29.93 0.19 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.456 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.444 ' H ' ' C ' ' A' ' 75' ' ' HIS . 67.6 p 53.82 43.95 30.23 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.893 0.378 . . . . 0.0 110.951 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.43 ' HB2' ' HG2' ' A' ' 76' ' ' GLU . 58.0 m-20 -154.01 -133.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.436 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -68.57 -140.97 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.597 0.236 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.976 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.714 0.292 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.63 ' O ' ' HD3' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -56.35 141.71 40.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.97 0.414 . . . . 0.0 111.285 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -66.96 129.73 40.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.542 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.551 HH23 HG21 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.842 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.572 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 14.4 mp0 -50.43 137.43 18.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.763 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.4 p -150.04 144.14 25.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.696 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.686 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -136.77 127.81 27.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.829 0.347 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.428 ' HD3' ' HB3' ' A' ' 18' ' ' GLU . 69.7 mtt-85 -66.88 119.97 12.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.325 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.712 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.473 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.451 ' HA ' ' HG3' ' A' ' 18' ' ' GLU . 40.7 t 48.2 45.43 19.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.88 0.372 . . . . 0.0 110.832 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 91.5 m -60.42 -54.98 39.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.376 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.76 -142.53 30.18 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.24 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 51.84 -130.59 35.81 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.726 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -166.78 136.97 3.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.314 . . . . 0.0 110.613 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.07 136.77 87.98 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.227 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.41 -43.95 12.78 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.58 2.186 . . . . 0.0 112.172 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.06 -136.98 40.64 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.588 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.529 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.8 m80 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.467 0.175 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 92.7 mmm 56.22 -133.82 1.43 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.772 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -167.59 -40.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-O 120.639 0.257 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 64.45 134.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.619 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 5.0 tp10 -174.31 37.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.138 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -78.75 139.88 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.431 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.672 ' HG ' ' HG2' ' A' ' 15' ' ' GLU . 64.8 tp -61.75 135.17 57.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.45 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.672 ' HG2' ' HG ' ' A' ' 14' ' ' LEU . 66.3 mm-40 65.36 146.92 0.03 OUTLIER 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -148.61 -39.2 0.17 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -56.82 138.14 53.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.684 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.728 ' HB3' ' HD2' ' B' ' 8' ' ' ARG . 50.5 mt-10 -55.24 134.92 50.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.124 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' B' ' 8' ' ' ARG . 67.8 mm-40 -149.22 133.25 17.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.067 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 56.6 mp0 -80.29 135.65 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.207 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -125.43 139.05 53.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.739 HG21 HH13 ' B' ' 4' ' ' MLY . 39.1 t -59.08 143.81 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.516 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.962 HG21 HD23 ' A' ' 40' ' ' LEU . 6.4 p -143.13 133.14 21.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.059 0.457 . . . . 0.0 111.296 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -78.33 -54.23 6.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.79 -0.641 . . . . 0.0 112.141 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.666 ' HA ' HD23 ' A' ' 63' ' ' LEU . 87.1 tttt -172.62 146.04 1.63 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.676 0.274 . . . . 0.0 111.437 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.609 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 20.4 m -68.22 137.14 25.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-O 121.124 0.488 . . . . 0.0 111.704 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.708 HD13 ' HG ' ' A' ' 39' ' ' LEU . 5.5 mp -83.52 -23.76 31.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.843 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.3 t70 179.95 -149.35 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.832 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.502 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.7 ptt180 -168.67 142.37 3.06 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.495 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.5 ptm180 -155.11 128.87 8.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.795 0.331 . . . . 0.0 111.024 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 23.0 t -78.13 142.26 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.299 0.571 . . . . 0.0 111.742 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.403 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 34.9 m -147.07 135.39 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.016 178.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.496 ' NZ ' ' HD2' ' A' ' 35' ' ' LYS . 22.5 pttp 44.28 37.62 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.354 0.408 . . . . 0.0 110.857 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.99 -32.42 4.34 Favored Glycine 0 CA--C 1.521 0.453 0 C-N-CA 121.04 -0.6 . . . . 0.0 113.826 179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HD2' ' NZ ' ' A' ' 33' ' ' LYS . 63.6 mttp -90.47 131.06 36.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.066 0.46 . . . . 0.0 112.0 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.659 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 12.1 p -81.58 140.87 15.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.435 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 12.7 pt-20 -128.82 127.63 42.31 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 179.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 29' ' ' ARG . 7.8 m-85 -100.21 143.89 29.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.716 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.71 HD12 ' H ' ' A' ' 40' ' ' LEU . 8.3 tp -82.94 142.64 31.26 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.962 HD23 HG21 ' A' ' 23' ' ' VAL . 6.5 mp -134.34 131.64 38.55 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.935 0.398 . . . . 0.0 111.802 -179.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HB2' HD11 ' A' ' 27' ' ' LEU . 56.0 tptt -77.11 74.49 3.69 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.856 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 67.4 m95 -56.09 124.52 18.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 0.0 111.529 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -65.16 141.62 58.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.554 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.73 -43.06 2.33 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.282 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.433 ' HD2' ' OD1' ' A' ' 49' ' ' ASP . 1.5 m-85 -69.19 138.17 53.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.5 m -56.82 152.97 11.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -51.95 -45.33 64.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.716 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.37 -34.25 77.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.378 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.433 ' OD1' ' HD2' ' A' ' 45' ' ' PHE . 9.8 t70 -62.0 -25.72 67.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.401 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.677 ' HB3' HD11 ' A' ' 39' ' ' LEU . 77.1 m-20 -42.83 136.06 2.76 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.959 0.409 . . . . 0.0 110.723 -179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.3 m -131.29 146.85 52.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.892 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.557 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.4 m95 -89.77 122.78 33.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.488 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.67 ' HB2' HD21 ' A' ' 58' ' ' LEU . 11.7 mp0 -106.96 151.75 40.74 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.959 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.451 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 36.1 Cg_exo -56.88 133.04 55.41 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.163 1.908 . . . . 0.0 111.428 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' HG3' HD13 ' A' ' 64' ' ' ILE . 41.7 tt0 -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.009 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.58 -44.2 87.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.451 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 4.1 m120 -64.06 -32.31 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.751 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 53' ' ' GLU . 11.9 mt -54.37 128.77 33.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.061 0.457 . . . . 0.0 111.961 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.501 ' HB3' ' O ' ' B' ' 6' ' ' THR . 62.9 t0 -107.54 44.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.777 ' HB2' HD13 ' A' ' 63' ' ' LEU . 26.2 p -149.43 61.62 5.35 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.838 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -50.97 -29.16 26.39 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.642 2.228 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.597 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 36.6 t70 -57.06 -45.89 82.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.557 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.777 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -67.16 -46.78 72.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.712 0.291 . . . . 0.0 111.228 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.614 ' O ' HD13 ' A' ' 68' ' ' LEU . 69.4 mt -55.12 -39.99 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.991 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -37.97 79.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 69.5 mm-40 -60.55 -42.23 96.14 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.264 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.603 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 37.8 t80 -56.4 -53.66 54.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 64' ' ' ILE . 4.5 mp -67.44 -37.64 83.31 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.216 0.531 . . . . 0.0 109.976 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.417 ' OE1' ' HE2' ' A' ' 72' ' ' LYS . 4.5 tp-100 -55.36 -37.43 67.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.661 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.3 m -66.22 -46.4 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.045 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -76.25 29.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.35 -178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' HE2' ' OE1' ' A' ' 69' ' ' GLN . 24.7 ttmm -82.44 126.17 31.91 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.454 ' O ' HG22 ' A' ' 73' ' ' THR . 11.6 m 55.71 33.42 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.388 0.613 . . . . 0.0 109.871 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.461 ' O ' ' HB3' ' A' ' 75' ' ' HIS . . . 53.47 40.82 31.91 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.588 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.461 ' HB3' ' O ' ' A' ' 74' ' ' ALA . 78.3 t60 72.49 -37.74 0.4 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.897 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' H ' ' C ' ' A' ' 74' ' ' ALA . 17.5 tp10 -54.79 137.66 44.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.897 0.379 . . . . 0.0 111.07 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.1 p -145.52 43.23 1.28 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -63.33 -43.03 98.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.754 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -172.17 47.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.478 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 51.5 m . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.968 -179.904 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.783 0.325 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 48.1 ttm-85 -64.5 -49.1 72.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 80.0 p 48.22 49.4 17.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.433 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.739 HH13 HG21 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.622 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.523 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -59.57 129.26 41.11 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.928 -179.281 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.501 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 25.0 p -158.13 152.05 23.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.395 179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.856 ' HB3' ' HH2' ' A' ' 42' ' ' TRP . . . -147.28 131.6 17.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.037 0.446 . . . . 0.0 111.172 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.728 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 52.5 mtm-85 -81.3 140.75 34.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.747 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.592 ' HA ' ' HG3' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.333 -0.151 0 CA-C-O 120.957 0.408 . . . . 0.0 110.291 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 97.2 p -179.96 136.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.873 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.486 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 70.5 p -51.83 120.36 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 111.3 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.62 136.9 36.53 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.401 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.28 -123.02 26.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.334 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -164.53 47.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.409 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.71 138.34 70.27 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.048 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.63 136.54 64.94 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.593 2.195 . . . . 0.0 112.55 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -177.69 133.18 2.13 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.402 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.397 -1.224 . . . . 0.0 112.598 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.521 0.2 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 85.9 mtp -62.49 125.88 25.42 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.4 m -78.63 139.87 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.4 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -170.58 120.51 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.664 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 179.85 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.207 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.6 t 68.75 126.3 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.973 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' HG ' ' HG3' ' A' ' 16' ' ' GLU . 31.6 tp -175.13 52.24 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.392 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -55.46 -43.98 75.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.541 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG3' ' HG ' ' A' ' 14' ' ' LEU . 44.3 mt-10 54.39 -146.53 0.55 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.807 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -86.84 -144.12 0.11 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.857 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.802 ' HB3' ' HG2' ' B' ' 8' ' ' ARG . 55.9 mt-10 -69.8 142.48 53.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.184 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -145.25 137.3 25.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.051 0.453 . . . . 0.0 111.07 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB3' ' CB ' ' B' ' 6' ' ' THR . 50.3 mt-10 -74.82 66.34 1.5 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.285 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -62.7 139.28 58.66 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.819 0.342 . . . . 0.0 111.093 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.4 t -58.33 143.67 12.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.566 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.426 HG11 HD22 ' A' ' 40' ' ' LEU . 60.0 t -135.74 125.31 40.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.254 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -78.74 -47.61 16.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.866 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.662 ' HA ' HD13 ' A' ' 63' ' ' LEU . 52.2 tptt -175.47 138.38 0.4 Allowed 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.369 0.604 . . . . 0.0 111.744 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.767 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.3 t -59.83 131.46 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.6 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.804 HD12 ' HG ' ' A' ' 39' ' ' LEU . 91.8 mt -88.83 -37.84 15.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.189 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.505 ' HB3' ' CH2' ' A' ' 52' ' ' TRP . 29.7 t0 -175.76 -157.89 0.06 Allowed 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.646 179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.49 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 37.8 ptt180 -169.14 144.73 3.27 Favored 'General case' 0 N--CA 1.461 0.101 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.632 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.6 ptt180 -155.02 129.72 9.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 35' ' ' LYS . 85.8 t -73.62 135.55 27.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.479 HG22 ' OE2' ' A' ' 37' ' ' GLU . 43.5 t -88.84 -42.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.41 ' H ' ' H ' ' A' ' 34' ' ' GLY . 21.6 ptmt -170.62 -15.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.012 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.41 ' H ' ' H ' ' A' ' 33' ' ' LYS . . . -166.36 -36.38 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.932 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.561 ' N ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -88.49 -159.96 0.6 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.354 179.683 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.535 HG23 ' OE2' ' A' ' 55' ' ' GLU . 1.8 t -150.12 109.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.66 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.1 pt-20 -88.82 126.06 35.19 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.5 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 8.5 m-85 -106.47 129.99 54.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.439 . . . . 0.0 111.778 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.804 ' HG ' HD12 ' A' ' 27' ' ' LEU . 26.1 tp -72.15 145.76 47.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.767 HD23 ' HA ' ' A' ' 26' ' ' VAL . 82.2 mt -144.07 132.65 22.27 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.226 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HB2' HD21 ' A' ' 27' ' ' LEU . 17.3 tppt? -83.06 66.55 8.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.097 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.489 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 42.2 m95 -47.54 132.92 13.54 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -62.44 140.72 58.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.38 -38.15 2.05 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.804 -0.712 . . . . 0.0 111.85 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.9 m-85 -72.0 132.76 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 111.216 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB3' ' OD1' ' A' ' 49' ' ' ASP . 47.3 t -65.98 162.9 18.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.781 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.476 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 63.7 t0 -50.95 -42.35 59.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -63.39 -36.55 84.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.996 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.512 ' OD1' ' HB3' ' A' ' 46' ' ' SER . 1.3 m-20 -59.48 -29.31 67.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.793 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 85.2 m-20 -47.52 145.77 2.43 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.91 0.386 . . . . 0.0 111.197 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 t -154.03 146.77 24.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.908 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.644 ' NE1' HD13 ' A' ' 39' ' ' LEU . 5.2 m95 -88.77 144.9 25.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.229 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.873 ' HG2' HD21 ' A' ' 58' ' ' LEU . 4.3 pm0 -151.27 151.61 29.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.657 0.265 . . . . 0.0 111.297 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.554 ' HG2' HD22 ' A' ' 57' ' ' ASN . 6.7 Cg_endo -48.09 135.47 24.29 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.062 2.508 . . . . 0.0 112.545 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.535 ' OE2' HG23 ' A' ' 36' ' ' VAL . 0.5 OUTLIER -59.37 -33.61 71.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.447 -179.685 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -44.78 -51.73 9.14 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.365 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.644 ' HB3' ' HB2' ' B' ' 8' ' ' ARG . 75.8 m-80 -67.87 -38.46 83.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.873 HD21 ' HG2' ' A' ' 53' ' ' GLU . 12.1 mt -58.73 126.66 28.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.875 -178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.95 46.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.597 179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.544 ' O ' HG13 ' A' ' 64' ' ' ILE . 26.7 p -122.8 56.78 8.95 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.794 -179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -59.69 -36.45 91.9 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.144 1.896 . . . . 0.0 111.812 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.29 -48.0 77.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.391 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.662 HD13 ' HA ' ' A' ' 25' ' ' LYS . 21.4 mt -66.7 -41.95 87.21 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.873 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 60' ' ' CYS . 82.1 mt -55.53 -41.73 65.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.851 0.358 . . . . 0.0 110.066 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.569 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -62.83 -46.09 89.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.226 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.491 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 95.3 mt-10 -60.66 -37.59 82.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.54 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -62.27 -48.97 77.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.303 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 60.4 mt -64.46 -34.61 78.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.776 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 74.7 mt-30 -51.36 -35.37 38.14 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.702 0.286 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.2 t -55.73 -52.54 63.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.518 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.65 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 18.6 mt-30 -91.36 111.87 23.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.642 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -179.47 125.75 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.097 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.479 ' O ' HG22 ' A' ' 73' ' ' THR . 9.2 m 46.98 31.14 1.43 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.275 0.559 . . . . 0.0 110.769 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 178.35 -43.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.452 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 16.2 m80 57.45 -129.03 1.66 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.73 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -164.39 -44.96 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 72.4 p -67.09 -47.06 72.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.846 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' A' ' 79' ' ' LYS . 50.6 t0 55.55 -133.38 1.59 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.517 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 79' ' ' LYS . 11.3 tmtt? -174.8 -47.71 0.01 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.781 0.325 . . . . 0.0 110.133 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.023 179.755 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.448 HH11 ' HG3' ' B' ' 2' ' ' ARG . 52.3 mtm-85 -65.61 -47.12 76.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 76.1 p -66.2 124.79 23.6 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.203 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.006 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.561 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 4.0 tp-100 -168.13 149.34 5.12 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.46 ' CB ' ' HB3' ' A' ' 20' ' ' GLU . 69.2 p -132.68 154.55 50.04 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -162.06 132.31 4.8 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.69 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.802 ' HG2' ' HB3' ' A' ' 18' ' ' GLU . 0.6 OUTLIER -66.32 136.81 56.35 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.713 0.292 . . . . 0.0 110.947 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.442 HH23 ' CE2' ' A' ' 45' ' ' PHE . . . . . . . . 0 C--N 1.332 -0.168 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.127 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.586 ' HB3' ' HB2' ' A' ' 53' ' ' GLU . 83.6 p 52.93 43.0 32.19 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.599 179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 18' ' ' GLU . 71.0 p -72.48 -53.01 13.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.767 0.318 . . . . 0.0 111.328 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.89 132.74 0.06 OUTLIER Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.534 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 172.43 57.16 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.623 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -155.01 49.63 0.57 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.099 0.476 . . . . 0.0 110.834 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.464 ' N ' ' HD3' ' B' ' 16' ' ' PRO . . . 53.84 58.55 12.85 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.543 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' B' ' 15' ' ' ALA . 44.7 Cg_exo -56.52 134.72 66.14 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.437 2.092 . . . . 0.0 112.286 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.33 -135.38 0.06 OUTLIER Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.752 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.387 -1.23 . . . . 0.0 112.502 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.475 ' HD2' ' H ' ' A' ' 9' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 N-CA-C 111.545 0.202 . . . . 0.0 111.545 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.475 ' H ' ' HD2' ' A' ' 8' ' ' HIS . 26.8 ptt? 40.65 46.37 2.2 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.62 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.8 t -60.42 -47.92 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 56.74 49.29 14.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.194 0.521 . . . . 0.0 110.368 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -59.86 139.75 57.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.114 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.98 133.51 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.5 mt -81.49 44.47 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -68.46 -135.33 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -161.34 37.04 0.14 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.019 0.437 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -72.62 -29.76 63.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.772 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.919 ' HG2' ' HA ' ' B' ' 11' ' ' THR . 35.7 mt-10 -49.09 127.89 15.28 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.413 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -89.97 138.31 31.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.45 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 94.2 mt-10 -79.7 136.34 36.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -122.82 136.96 55.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.565 ' HB ' ' HD2' ' A' ' 43' ' ' LYS . 38.3 t -55.23 140.74 12.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.764 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' H ' ' B' ' 7' ' ' ALA . 58.9 t -139.88 129.09 28.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.487 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 89.1 tt0 -82.95 -58.81 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.587 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.584 ' HE2' ' OE1' ' A' ' 66' ' ' GLU . 5.0 mmmp? -159.39 139.55 11.97 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.264 0.555 . . . . 0.0 111.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.753 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.2 t -60.43 128.67 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.917 178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 41' ' ' LYS . 86.2 mt -84.64 -39.11 19.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.025 -179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 45.4 m-20 -161.3 -153.06 0.28 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.361 0.6 . . . . 0.0 112.54 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 68.6 ttt180 -168.44 134.58 1.87 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.018 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.532 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 8.9 ptp180 -154.77 142.23 19.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 111.859 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 36' ' ' VAL . 13.3 t -114.12 137.81 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.974 177.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' LYS . 1.5 p -161.94 132.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.167 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 32' ' ' VAL . 24.4 ttmm 71.64 20.77 4.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.321 0.582 . . . . 0.0 109.463 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.26 -19.43 13.45 Favored Glycine 0 C--N 1.339 0.74 0 C-N-CA 120.833 -0.699 . . . . 0.0 113.026 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -87.12 155.34 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.068 0.461 . . . . 0.0 110.98 -179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 22.0 t -108.14 141.24 23.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.049 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -148.61 132.61 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.04 0.448 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 64' ' ' ILE . 15.3 m-85 -111.75 135.47 52.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.709 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.672 HD13 ' NE1' ' A' ' 52' ' ' TRP . 29.6 tp -74.52 147.54 41.72 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.753 HD23 ' HA ' ' A' ' 26' ' ' VAL . 90.7 mt -142.7 135.47 28.04 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.851 ' HB2' HD21 ' A' ' 27' ' ' LEU . 23.4 tptm -84.3 69.19 10.43 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.225 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.697 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 27.2 m95 -51.35 137.96 22.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.261 -179.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -59.22 135.14 57.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.364 -179.412 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.76 -34.07 1.42 Allowed Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.712 -179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.697 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 2.3 m-85 -72.35 128.49 35.8 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.89 0.376 . . . . 0.0 111.369 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.6 p -78.52 -166.02 0.8 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.63 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 1.5 m-20 -61.33 -50.32 73.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.27 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.89 -42.14 99.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.179 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 1.3 m-20 -60.43 -33.77 73.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.793 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.63 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 82.0 m-20 -51.24 145.29 8.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.958 0.409 . . . . 0.0 111.31 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.6 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 7.8 t -145.52 131.36 19.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.763 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.672 ' NE1' HD13 ' A' ' 39' ' ' LEU . 9.4 m95 -72.52 126.47 29.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.582 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' HG2' ' HZ2' ' A' ' 42' ' ' TRP . 67.3 mm-40 -106.16 143.25 26.55 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.31 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.615 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 35.8 Cg_exo -58.42 142.92 98.19 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.328 2.019 . . . . 0.0 111.859 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -49.24 -38.21 25.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.622 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -73.95 -44.14 55.92 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.655 HD22 ' HA ' ' B' ' 10' ' ' SER . 4.8 m120 -59.54 -60.62 3.55 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.708 ' O ' HD12 ' A' ' 58' ' ' LEU . 2.4 pp -57.14 144.75 33.61 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.042 0.449 . . . . 0.0 111.81 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.719 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 39.0 t70 -114.49 53.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.732 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.529 ' O ' HG13 ' A' ' 64' ' ' ILE . 62.7 m -128.11 58.24 32.33 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 31.9 Cg_exo -58.34 -42.62 54.05 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.393 2.062 . . . . 0.0 112.39 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.642 ' H ' HE22 ' B' ' 5' ' ' GLN . 1.3 m-20 -60.09 -43.6 95.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.405 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.436 ' HG ' ' OE1' ' B' ' 5' ' ' GLN . 48.0 mt -68.4 -40.31 81.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.961 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.552 HD11 ' CD1' ' A' ' 58' ' ' LEU . 92.1 mt -57.56 -46.92 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.57 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.573 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.97 -42.66 84.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.276 179.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.584 ' OE1' ' HE2' ' A' ' 25' ' ' LYS . 39.8 tt0 -60.41 -36.41 78.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.426 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 31.2 t80 -64.63 -49.45 71.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.053 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 68.2 mt -61.51 -33.74 74.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.463 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 87.1 mt-30 -52.7 -39.26 61.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 72' ' ' LYS . 55.3 m -64.84 -36.01 82.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.534 179.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.79 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 95.7 mm-40 -72.79 22.15 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.619 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 70' ' ' SER . 56.3 tttm -82.04 -126.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.599 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.9 m -58.64 -50.62 73.17 Favored 'General case' 0 C--O 1.231 0.132 0 CA-C-O 120.792 0.329 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 76' ' ' GLU . . . -63.66 -53.37 52.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.421 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.79 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 24.0 t-80 57.83 -79.93 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.666 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 74' ' ' ALA . 16.5 pt-20 -56.24 145.4 26.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.36 -179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.0 t -168.04 140.2 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.067 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 61.74 52.31 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.974 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -58.11 136.26 57.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.071 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.064 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.714 0.292 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' B' ' 2' ' ' ARG . 52.0 ttp85 -171.2 -45.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.992 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.718 HG22 ' HD2' ' B' ' 4' ' ' MLY . 3.3 m -159.94 -134.82 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.259 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.718 ' HD2' HG22 ' B' ' 3' ' ' THR . . . . . . . . 0 N--CA 1.461 0.124 0 CA-C-O 120.906 0.384 . . . . 0.0 111.081 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.642 HE22 ' H ' ' A' ' 62' ' ' ASP . 81.4 mt-30 -72.77 138.01 46.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.065 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.629 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 67.2 p -104.72 124.23 49.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.997 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.719 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -97.28 135.71 38.81 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.903 0.382 . . . . 0.0 110.738 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.574 ' HD3' ' HB2' ' A' ' 18' ' ' GLU . 65.2 mtt-85 -65.76 141.23 58.4 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.604 -179.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.527 ' O ' ' HG2' ' B' ' 9' ' ' MLY . . . . . . . . 0 CA--C 1.532 0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.221 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.655 ' HA ' HD22 ' A' ' 57' ' ' ASN . 84.8 p 47.84 75.9 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.508 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.919 ' HA ' ' HG2' ' A' ' 18' ' ' GLU . 72.7 p 53.85 56.27 7.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.573 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.5 142.7 32.75 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.997 -0.621 . . . . 0.0 112.446 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.07 137.61 1.75 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.47 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -60.59 -49.29 78.12 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.678 0.275 . . . . 0.0 111.073 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.567 ' H ' ' HD2' ' B' ' 16' ' ' PRO . . . -175.97 -50.08 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.635 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.567 ' HD2' ' H ' ' B' ' 15' ' ' ALA . 80.1 Cg_endo -76.88 39.33 0.7 Allowed 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 122.167 1.911 . . . . 0.0 112.577 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.41 -45.58 84.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.449 -1.195 . . . . 0.0 112.613 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.8 t60 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.716 0.293 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -58.64 132.69 54.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.489 HG23 ' HG3' ' A' ' 11' ' ' GLU . 18.1 m -151.09 -142.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.658 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.489 ' HG3' HG23 ' A' ' 10' ' ' VAL . 55.7 mt-10 64.55 137.43 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.917 0.389 . . . . 0.0 111.414 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -172.36 -42.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.782 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.65 131.82 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.186 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 14' ' ' LEU . 34.1 tp -176.25 42.89 0.01 OUTLIER 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.332 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.55 135.06 48.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.06 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -62.04 -34.47 76.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.731 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -52.09 147.29 7.61 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.808 ' HA ' ' HB ' ' B' ' 11' ' ' THR . 83.9 mt-10 -51.56 125.28 14.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.143 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 56.2 mt-10 -90.88 135.7 33.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.788 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -76.62 130.22 37.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.222 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.479 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 4.7 m-85 -116.18 140.55 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.803 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.0 t -57.43 135.54 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.32 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.729 HG11 HD12 ' A' ' 40' ' ' LEU . 65.6 t -118.33 133.48 65.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.179 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 38.3 tt0 -77.2 -53.78 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.055 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HA ' HD13 ' A' ' 63' ' ' LEU . 38.9 ttpt -178.29 135.89 0.16 Allowed 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.232 0.539 . . . . 0.0 111.214 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.12 132.61 21.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.106 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.781 HD13 ' HG ' ' A' ' 39' ' ' LEU . 4.9 mp -91.79 -37.42 12.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.93 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.463 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 34.7 t70 179.56 159.84 0.74 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB3' ' CE2' ' A' ' 38' ' ' TYR . 8.0 ptm180 -96.89 162.46 13.39 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.574 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 74.1 ttt180 -153.68 162.06 41.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.798 0.333 . . . . 0.0 111.591 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 35' ' ' LYS . 73.4 t -147.56 139.03 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.404 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.684 HG23 ' HG2' ' A' ' 33' ' ' LYS . 27.3 m -105.51 -42.01 6.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.684 ' HG2' HG23 ' A' ' 32' ' ' VAL . 24.2 pttm -167.9 48.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.118 0.485 . . . . 0.0 110.452 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.72 -33.87 5.28 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.71 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 31' ' ' VAL . 56.2 mtpt -70.86 -155.78 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.296 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.545 ' HA ' ' O ' ' A' ' 30' ' ' ARG . 11.0 p -171.78 130.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.58 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.574 ' HG3' ' HB3' ' A' ' 30' ' ' ARG . 13.9 pt-20 -130.32 126.42 37.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.192 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 41.9 m-85 -100.05 148.65 24.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.663 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.781 ' HG ' HD13 ' A' ' 27' ' ' LEU . 8.9 tp -90.62 140.77 29.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.781 ' H ' HD12 ' A' ' 39' ' ' LEU . 0.8 OUTLIER -131.92 136.09 47.12 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.37 -179.417 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 2.9 tmtp? -85.51 70.63 10.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.688 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 40.7 m95 -49.53 136.2 17.03 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.658 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -69.18 150.84 47.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.45 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.43 -40.69 2.22 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.987 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.645 ' HD2' ' HB3' ' A' ' 49' ' ' ASP . 17.5 m-85 -77.09 -140.1 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 121.41 -0.116 . . . . 0.0 110.979 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' A' ' 49' ' ' ASP . 80.6 p -165.16 -166.02 0.96 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 111.393 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.621 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.1 m-20 -65.67 -46.91 77.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.674 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.1 pt-20 -68.51 -36.84 79.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.866 0.365 . . . . 0.0 111.278 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.645 ' HB3' ' HD2' ' A' ' 45' ' ' PHE . 1.4 m-20 -71.45 -38.69 71.29 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.688 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 20.4 p30 -51.15 147.96 4.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.185 0.517 . . . . 0.0 111.876 -178.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.571 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 8.4 t -138.2 152.97 49.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.469 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.533 ' CZ3' ' HB2' ' A' ' 30' ' ' ARG . 6.5 m95 -86.75 128.71 35.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.433 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' B' ' 8' ' ' ARG . 15.2 mp0 -110.54 142.47 26.15 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.6 Cg_exo -61.58 147.09 96.22 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.492 2.128 . . . . 0.0 111.487 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -48.9 -36.47 17.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.218 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.26 -43.5 70.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.552 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.466 HD22 ' HA ' ' B' ' 10' ' ' SER . 5.6 m120 -62.7 -54.35 40.57 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.452 ' C ' HD12 ' A' ' 58' ' ' LEU . 3.3 pp -62.65 -167.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.908 -178.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -172.07 56.38 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.226 -179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 26.0 p -135.73 58.37 23.88 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.134 -179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 51.4 Cg_exo -54.3 -38.62 88.74 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.598 2.198 . . . . 0.0 112.449 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.554 ' H ' ' NE2' ' B' ' 5' ' ' GLN . 1.5 m-20 -58.29 -46.61 85.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.03 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' HG ' ' HG3' ' B' ' 5' ' ' GLN . 25.9 mt -67.23 -41.53 85.53 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.903 0.382 . . . . 0.0 110.153 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 38' ' ' TYR . 81.9 mt -56.66 -40.54 70.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.169 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -67.94 -44.09 77.62 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.08 178.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.7 mt-10 -57.89 -35.55 71.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.459 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 28' ' ' ASP . 31.7 t80 -60.85 -49.93 75.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.155 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.41 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 58.7 mt -64.77 -39.94 94.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.472 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 26.5 mt-30 -54.99 -39.37 68.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.943 0.401 . . . . 0.0 110.713 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 75' ' ' HIS . 53.2 m -58.37 -44.62 88.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.86 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -69.75 -29.25 66.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.576 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 68' ' ' LEU . 32.2 mmmt -50.7 126.66 16.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.58 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 73' ' ' THR . 17.4 m 53.02 42.41 32.24 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.162 0.506 . . . . 0.0 109.806 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 73' ' ' THR . . . 71.88 -62.99 0.44 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.187 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.434 ' HA ' ' O ' ' A' ' 70' ' ' SER . 19.8 p-80 179.69 -147.06 0.02 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.691 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.548 ' HG2' ' H ' ' A' ' 77' ' ' THR . 29.0 tt0 -174.87 -132.12 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.548 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 64.1 p 47.47 -140.66 0.55 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.516 0.198 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -62.01 140.08 58.37 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.709 0.29 . . . . 0.0 110.446 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 79' ' ' LYS . 12.4 mptt -56.06 -53.6 55.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.047 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 86.8 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.246 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' B' ' 3' ' ' THR . 38.0 ptt180 -67.79 -51.24 51.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.186 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' B' ' 2' ' ' ARG . 87.9 m -93.59 137.92 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.328 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.204 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.653 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.554 ' NE2' ' H ' ' A' ' 62' ' ' ASP . 8.5 mm100 61.79 135.97 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.234 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.522 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 42.3 p -153.19 119.61 5.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.892 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.482 ' H ' HG23 ' A' ' 23' ' ' VAL . . . -101.37 127.54 47.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.886 0.374 . . . . 0.0 110.67 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.618 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 41.1 mtt85 -72.88 127.66 33.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.121 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.592 HH21 ' CE1' ' A' ' 45' ' ' PHE . . . . . . . . 0 CA--C 1.533 0.325 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.029 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.466 ' HA ' HD22 ' A' ' 57' ' ' ASN . 48.4 t 45.79 46.26 11.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.593 179.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.808 ' HB ' ' HA ' ' A' ' 18' ' ' GLU . 73.1 m -58.91 -52.47 65.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.352 . . . . 0.0 110.589 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.512 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -81.02 -132.43 1.23 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.397 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 63.39 42.81 99.0 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.835 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.32 128.92 38.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.581 0.229 . . . . 0.0 110.657 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.96 140.68 0.57 Allowed Pre-proline 0 C--N 1.331 -0.199 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.232 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -60.95 -45.08 21.43 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.663 2.242 . . . . 0.0 112.229 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 179.86 -45.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.552 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.333 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.8 t60 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.804 0.335 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.1 ptm -64.64 134.71 54.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.8 t -62.91 139.4 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.168 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.532 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 14.4 tp10 -69.14 -132.38 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' H ' ' HG3' ' A' ' 11' ' ' GLU . 95.8 mt-10 -73.97 -152.48 0.03 OUTLIER 'General case' 0 CA--C 1.529 0.142 0 CA-C-O 120.563 0.221 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.8 t 62.19 129.31 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.059 0.457 . . . . 0.0 111.486 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.1 mp -69.45 124.12 23.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.71 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' HA ' ' OE2' ' A' ' 17' ' ' GLU . 22.2 pt-20 -78.65 -137.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 66.25 40.04 3.93 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.956 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 15' ' ' GLU . 58.2 mp0 -93.39 -146.23 0.24 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.249 -0.278 . . . . 0.0 110.249 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.611 ' HB3' ' HD3' ' B' ' 8' ' ' ARG . 51.1 mt-10 54.04 48.19 21.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.606 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.508 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 96.1 mt-10 -80.5 134.96 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 111.207 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 41.7 mt-10 -77.95 134.59 37.83 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.511 ' HD2' HH22 ' B' ' 9' ' ' MLY . 10.2 m-85 -127.05 136.94 52.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.836 179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.511 ' HA ' HG22 ' B' ' 6' ' ' THR . 61.9 t -57.77 138.37 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.9 HG11 HD23 ' A' ' 40' ' ' LEU . 25.5 t -133.08 135.72 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.718 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -69.59 -54.91 11.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 112.002 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.796 ' HA ' HD22 ' A' ' 63' ' ' LEU . 38.1 ttpt -177.24 142.78 0.36 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.143 0.496 . . . . 0.0 112.171 -179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -64.17 136.96 25.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.55 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.2 mm? -94.36 -43.12 8.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.2 m-20 -157.59 -148.73 0.21 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -167.99 131.54 1.63 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.905 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.469 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 41.2 ptt180 -155.98 139.74 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 35' ' ' LYS . 58.0 t -102.51 128.51 55.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.311 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.741 HG23 ' HG2' ' A' ' 33' ' ' LYS . 35.8 m -93.64 -40.64 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.927 0.394 . . . . 0.0 111.698 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.741 ' HG2' HG23 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -171.52 55.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.739 -179.596 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.06 -25.95 26.46 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' O ' HG13 ' A' ' 31' ' ' VAL . 30.0 mmmt -67.11 155.14 39.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.682 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.662 HG12 ' HE1' ' A' ' 38' ' ' TYR . 14.8 t -128.1 61.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.689 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 24.5 pt-20 -87.78 129.44 35.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.232 0.539 . . . . 0.0 112.027 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.662 ' HE1' HG12 ' A' ' 36' ' ' VAL . 6.5 m-85 -105.04 151.93 23.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.406 179.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 14.4 tp -85.05 139.87 31.43 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.9 HD23 HG11 ' A' ' 23' ' ' VAL . 5.3 mp -150.88 134.57 16.47 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HG2' ' HA ' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -81.48 124.86 29.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 178.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.611 ' HE1' ' H ' ' A' ' 51' ' ' THR . 18.1 m95 -99.57 136.15 39.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.555 . . . . 0.0 112.395 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -66.56 151.02 48.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.461 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.62 -52.4 4.45 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 112.666 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.424 ' CE1' HH11 ' B' ' 9' ' ' MLY . 2.5 m-85 -71.01 -121.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.603 0.24 . . . . 0.0 110.76 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.2 p -156.91 149.55 23.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.707 0.289 . . . . 0.0 110.597 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.605 ' HA ' ' HG2' ' A' ' 41' ' ' LYS . 19.1 m-20 -47.87 -48.13 31.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.155 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -56.59 -39.73 74.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.504 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.83 36.29 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.488 ' CG ' HD11 ' A' ' 39' ' ' LEU . 23.3 p30 -84.1 141.14 31.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.669 0.271 . . . . 0.0 110.607 179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.611 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.4 t -132.06 132.91 43.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.342 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.537 ' HA ' ' O ' ' A' ' 38' ' ' TYR . 8.8 m95 -72.73 124.77 25.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.596 ' HB2' HD21 ' A' ' 58' ' ' LEU . 4.1 mm-40 -112.08 144.07 30.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.184 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.43 ' HG2' ' CG ' ' A' ' 57' ' ' ASN . 9.4 Cg_endo -53.05 137.66 62.39 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.561 2.174 . . . . 0.0 112.015 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 15.7 tp10 -55.13 -40.08 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.251 -179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -55.19 -42.79 73.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.951 0.405 . . . . 0.0 110.649 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.496 HD21 HG23 ' B' ' 11' ' ' THR . 4.5 m120 -69.11 -39.26 79.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.494 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.648 HD22 ' HB1' ' B' ' 7' ' ' ALA . 12.5 mt -53.17 135.49 37.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.514 -178.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.664 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 34.1 t70 -130.48 47.29 2.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.8 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.593 ' SG ' ' HB2' ' B' ' 7' ' ' ALA . 21.9 p -149.08 64.28 7.34 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.061 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.541 ' HA ' HD12 ' A' ' 64' ' ' ILE . 75.2 Cg_exo -49.66 -23.42 8.09 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.61 2.207 . . . . 0.0 111.979 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 32.6 m-20 -55.81 -46.35 78.09 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.058 179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 25' ' ' LYS . 40.1 mt -64.52 -44.3 91.31 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 120.961 0.41 . . . . 0.0 110.084 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.573 ' O ' HD13 ' A' ' 68' ' ' LEU . 71.6 mt -54.79 -43.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.28 179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.97 -42.19 90.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.757 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.693 ' HA ' HE21 ' A' ' 69' ' ' GLN . 55.4 mt-10 -57.42 -38.61 74.62 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.709 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 28' ' ' ASP . 29.7 t80 -62.49 -58.9 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.656 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD13 ' O ' ' A' ' 64' ' ' ILE . 6.4 mp -63.08 -19.66 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.693 HE21 ' HA ' ' A' ' 66' ' ' GLU . 66.8 mt-30 -48.95 -38.77 23.98 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.164 179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -72.46 -37.89 68.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.005 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.23 -9.96 13.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.224 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -41.99 -40.78 2.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.933 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 t -171.51 50.02 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.037 0.446 . . . . 0.0 110.965 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 61.04 66.6 0.88 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.642 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -41.91 -43.55 3.11 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.957 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -174.03 -50.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.733 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.3 t -179.31 133.91 0.12 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -64.54 131.79 48.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -81.14 42.83 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.316 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.889 179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.893 0.377 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 -59.94 131.06 49.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.155 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.2 t 37.36 43.84 0.42 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.784 -0.644 . . . . 0.0 112.052 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.481 ' HG2' HG23 ' B' ' 6' ' ' THR . . . . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.967 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.478 ' HB2' ' HB2' ' A' ' 60' ' ' CYS . 3.1 pt20 -78.41 125.14 28.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.472 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.555 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 69.2 p -153.14 126.33 8.54 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.348 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.664 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -109.61 125.3 52.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.791 0.329 . . . . 0.0 110.248 178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.611 ' HD3' ' HB3' ' A' ' 18' ' ' GLU . 99.1 mtt180 -59.71 135.07 57.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.427 -179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.511 HH22 ' HD2' ' A' ' 21' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.659 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.485 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 70.7 m 60.55 62.48 1.52 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.765 0.317 . . . . 0.0 111.38 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.603 HG22 ' HG2' ' A' ' 18' ' ' GLU . 71.3 p 53.6 47.18 24.48 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.734 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.18 46.89 93.41 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.543 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.97 -133.0 1.62 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -150.18 -38.17 0.14 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.595 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 59.77 55.56 4.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.48 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -67.51 132.71 27.92 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.356 2.037 . . . . 0.0 112.179 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.86 -47.46 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.569 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.532 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.1 m170 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.457 0.17 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.481 ' HG2' HG23 ' A' ' 10' ' ' VAL . 43.1 ttp -172.12 -124.11 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.481 HG23 ' HG2' ' A' ' 9' ' ' MET . 51.0 t -69.0 -45.12 80.69 Favored 'Isoleucine or valine' 0 C--O 1.232 0.134 0 CA-C-O 120.685 0.279 . . . . 0.0 111.348 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -171.4 140.9 1.48 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.013 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.572 ' O ' HG12 ' A' ' 13' ' ' VAL . 9.8 pm0 -57.39 -41.82 81.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.728 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 12' ' ' GLU . 10.0 p 51.5 135.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.883 0.873 . . . . 0.0 112.933 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.557 ' H ' HD23 ' A' ' 14' ' ' LEU . 2.3 pt? -58.24 157.9 7.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -49.06 132.19 19.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.058 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -65.39 133.5 51.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.53 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 52.44 -147.93 0.44 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.513 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.918 ' HB2' ' HD3' ' B' ' 8' ' ' ARG . 54.4 mp0 -88.84 133.22 34.34 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.083 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.407 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 41.2 tt0 -72.52 135.12 45.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.981 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.517 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 96.7 mt-10 -77.43 131.0 37.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.019 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 4.0 m-85 -116.48 134.03 55.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' B' ' 6' ' ' THR . 47.5 t -61.89 135.24 26.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.057 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.0 HG11 HD23 ' A' ' 40' ' ' LEU . 49.0 t -121.56 132.08 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.931 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.82 -51.45 16.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.354 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.82 ' HA ' HD23 ' A' ' 63' ' ' LEU . 27.2 tptp -178.83 137.62 0.15 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.984 0.421 . . . . 0.0 111.702 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 67' ' ' PHE . 1.2 t -58.87 143.49 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.141 178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.706 HD23 ' HG ' ' A' ' 39' ' ' LEU . 2.6 mm? -107.52 -40.12 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.489 ' HA ' ' CE1' ' A' ' 67' ' ' PHE . 53.3 m-20 -156.56 -150.78 0.3 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HG2' HH11 ' A' ' 29' ' ' ARG . 44.5 ttt-85 -165.22 137.12 4.2 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.352 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -155.87 138.88 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -96.94 138.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.206 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.71 HG23 ' HG2' ' A' ' 33' ' ' LYS . 28.1 m -101.34 -41.59 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.976 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.71 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.7 pttp -167.66 56.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.33 0.586 . . . . 0.0 109.46 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.36 13.86 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -89.93 133.81 34.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.97 0.414 . . . . 0.0 110.617 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.407 HG13 ' HB2' ' A' ' 55' ' ' GLU . 8.4 p -95.88 144.63 9.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.267 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -148.05 127.95 13.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.134 0.492 . . . . 0.0 110.582 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.641 ' CE2' HG23 ' A' ' 64' ' ' ILE . 2.5 m-85 -100.22 158.34 15.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.597 -179.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.828 HD11 ' HB3' ' A' ' 50' ' ' ASN . 14.2 tp -87.57 140.55 29.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.505 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.0 HD23 HG11 ' A' ' 23' ' ' VAL . 6.1 mp -140.62 129.63 23.36 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 1.1 tmtp? -79.14 119.17 21.87 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.49 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 32.9 m95 -91.75 132.93 36.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.074 0.464 . . . . 0.0 111.914 -178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -61.49 143.39 55.99 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.18 -48.48 3.59 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.393 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -66.43 140.03 58.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.617 0.246 . . . . 0.0 110.447 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.533 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 50.6 m -52.7 141.36 21.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.8 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -52.77 -39.84 62.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -61.38 -31.23 71.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.35 43.11 0.22 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.828 ' HB3' HD11 ' A' ' 39' ' ' LEU . 4.8 m120 -65.19 139.74 58.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.681 0.276 . . . . 0.0 110.705 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.49 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 82.9 m -137.77 127.64 25.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.981 0.42 . . . . 0.0 111.323 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.496 ' CD1' HD13 ' A' ' 39' ' ' LEU . 16.5 m95 -85.41 141.17 30.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.824 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -131.7 141.04 40.2 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.331 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.509 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 14.6 Cg_endo -57.3 138.69 87.39 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.578 2.185 . . . . 0.0 111.799 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' HB2' HG13 ' A' ' 36' ' ' VAL . 40.4 tt0 -52.67 -33.71 48.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.407 -179.465 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.06 -48.87 69.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.58 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 4.9 m120 -64.79 -56.47 13.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 111.782 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.637 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.7 pp -55.84 149.41 14.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.56 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.73 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 59.8 t0 -124.38 58.97 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.643 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.849 ' HB2' HD13 ' A' ' 63' ' ' LEU . 27.0 p -141.98 60.33 10.76 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.405 ' HD2' ' OE1' ' B' ' 5' ' ' GLN . 19.4 Cg_endo -59.64 -37.56 87.17 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.576 2.184 . . . . 0.0 112.451 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.92 -44.62 91.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.325 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.849 HD13 ' HB2' ' A' ' 60' ' ' CYS . 5.6 mp -67.7 -37.83 82.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.128 0.489 . . . . 0.0 109.809 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.641 HG23 ' CE2' ' A' ' 38' ' ' TYR . 85.0 mt -58.1 -49.64 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.655 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -61.06 -41.63 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.723 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -55.2 -32.05 61.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.609 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.522 ' HB3' ' O ' ' A' ' 64' ' ' ILE . 30.5 t80 -61.47 -56.4 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -64.89 -40.22 94.76 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.791 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 73.6 mt-30 -59.62 -42.42 92.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.264 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.523 ' O ' ' HA ' ' A' ' 75' ' ' HIS . 56.2 m -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.117 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -80.05 37.12 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.318 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.794 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 0.6 OUTLIER -62.35 111.91 2.2 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.086 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 86.2 m 74.88 -47.16 0.62 Allowed 'General case' 0 CA--C 1.529 0.161 0 O-C-N 123.555 0.534 . . . . 0.0 110.612 -178.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 73' ' ' THR . . . 176.74 43.02 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.435 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.523 ' HA ' ' O ' ' A' ' 70' ' ' SER . 32.6 t-80 64.95 142.14 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.897 0.379 . . . . 0.0 111.16 179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -66.87 -139.79 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.299 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 78' ' ' ASP . 3.1 m -69.25 -136.18 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.716 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.562 ' H ' HG22 ' A' ' 77' ' ' THR . 1.5 m-20 -77.49 -149.74 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 CA-C-O 120.689 0.28 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -75.19 135.3 41.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.881 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.481 0.182 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -64.83 -38.53 91.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.776 0.322 . . . . 0.0 111.024 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.3 t -168.28 140.52 2.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.317 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.659 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.453 ' OE1' ' HA ' ' A' ' 60' ' ' CYS . 92.0 mm-40 64.71 132.84 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.558 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.553 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 39.7 p -152.98 116.34 4.67 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.73 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -84.63 135.28 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 111.468 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.918 ' HD3' ' HB2' ' A' ' 18' ' ' GLU . 91.4 mtt180 -66.74 143.95 56.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.712 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.389 -179.604 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.401 ' HA ' HD22 ' A' ' 57' ' ' ASN . 43.1 t 50.34 52.78 14.11 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.29 179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.498 ' HA ' ' HG3' ' A' ' 18' ' ' GLU . 89.4 m 66.53 134.13 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.987 -179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.06 148.09 8.06 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.757 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -149.8 136.05 5.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.18 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -130.32 -140.55 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.526 0.203 . . . . 0.0 111.001 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.425 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . -56.44 139.12 74.92 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.334 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 23.5 Cg_exo -64.23 -130.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.824 2.349 . . . . 0.0 112.16 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -168.43 134.0 3.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.608 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.397 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 p80 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.426 ' HB3' ' H ' ' A' ' 10' ' ' VAL . 2.1 mpt? 67.06 -146.12 0.15 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.561 0.219 . . . . 0.0 110.551 -179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.426 ' H ' ' HB3' ' A' ' 9' ' ' MET . 17.5 m -151.57 42.12 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 120.788 0.328 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -62.31 119.84 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.919 0.39 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -80.85 -129.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 50.2 t 67.8 129.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-O 120.9 0.381 . . . . 0.0 111.289 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 45.3 tp 61.78 114.62 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -80.21 40.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.52 -179.669 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -172.8 125.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.861 0.363 . . . . 0.0 111.056 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 178.91 134.53 0.09 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.511 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.509 ' HG2' ' H ' ' B' ' 12' ' ' GLY . 54.6 mt-10 55.67 47.82 19.79 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.81 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.499 ' HG3' ' HE1' ' A' ' 21' ' ' TYR . 11.5 pt-20 -71.49 129.4 38.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.428 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.499 ' HB3' ' HB ' ' B' ' 6' ' ' THR . 96.3 mt-10 -86.76 129.98 34.66 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.028 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' O ' HG23 ' A' ' 23' ' ' VAL . 7.0 m-85 -98.5 140.25 33.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' B' ' 6' ' ' THR . 59.5 t -57.71 -47.54 85.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.505 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 21' ' ' TYR . 17.5 t 65.23 128.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -72.22 -52.19 17.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HE2' ' HB3' ' A' ' 66' ' ' GLU . 61.6 tttm 178.71 139.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.277 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.774 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -60.76 129.95 24.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.935 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 98.0 mt -80.65 -56.2 4.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.797 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.94 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.7 m-20 -137.81 -166.08 1.89 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -160.15 140.26 11.55 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.679 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.7 ptm180 -155.79 154.04 30.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.969 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.3 t -121.28 136.15 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.91 0.386 . . . . 0.0 111.192 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.2 m -128.99 127.75 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.371 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt 42.08 38.06 1.0 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.317 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.96 37.63 49.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.727 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.594 ' HB3' ' HZ2' ' A' ' 35' ' ' LYS . 5.1 mmmp? -122.06 140.43 52.52 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.735 0.302 . . . . 0.0 110.585 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 48.0 t -92.45 134.92 28.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.807 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 16.7 pt-20 -154.3 135.21 13.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.542 -0.753 . . . . 0.0 109.215 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 23.5 m-85 -127.56 135.23 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.94 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 14.5 tp -75.34 137.83 41.37 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.112 -0.949 . . . . 0.0 108.917 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.774 HD23 ' HA ' ' A' ' 26' ' ' VAL . 79.5 mt -137.1 132.14 33.67 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -177.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.577 ' HB2' HD21 ' A' ' 27' ' ' LEU . 27.8 tptp -86.24 76.43 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.306 179.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 45' ' ' PHE . 30.6 m95 -55.3 131.35 45.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.576 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -65.26 139.08 58.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.431 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.74 -40.1 2.03 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.161 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 4.6 m-85 -72.54 137.21 46.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.998 0.427 . . . . 0.0 111.498 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.0 m -62.51 157.23 20.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.421 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 2.6 p30 -53.73 -37.59 63.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -61.61 -36.65 81.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.019 0.438 . . . . 0.0 110.514 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -61.4 -28.05 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.837 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 86.7 m-20 -44.75 142.49 1.71 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.908 0.385 . . . . 0.0 111.346 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.412 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 7.5 t -147.52 128.82 14.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.987 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.489 ' CE3' ' HG2' ' A' ' 30' ' ' ARG . 11.5 m95 -70.46 140.38 51.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.144 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.873 ' HG3' HD21 ' A' ' 58' ' ' LEU . 6.7 pt-20 -148.5 145.48 20.33 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.767 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.707 ' HG2' HD22 ' A' ' 57' ' ' ASN . 9.3 Cg_endo -51.46 136.49 48.26 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 123.143 2.562 . . . . 0.0 113.388 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.54 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 43.5 tp10 -60.3 -30.89 69.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.095 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -49.28 -51.27 34.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.707 HD22 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -69.94 -37.61 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.873 HD21 ' HG3' ' A' ' 53' ' ' GLU . 7.4 mt -56.86 125.32 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -110.14 53.7 0.69 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.295 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.572 ' HB2' ' HB3' ' B' ' 5' ' ' GLN . 26.0 p -151.94 57.24 2.15 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.3 -179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -52.33 -31.55 47.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.695 2.263 . . . . 0.0 112.152 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -56.78 -50.49 72.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.663 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 54.7 mt -59.37 -45.18 92.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.647 -0.252 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.561 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 1.9 mp -52.45 -41.17 35.09 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.546 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -61.62 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.354 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -58.26 -41.7 84.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.244 179.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.471 ' HB2' HG22 ' A' ' 26' ' ' VAL . 15.9 t80 -68.42 -44.75 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.641 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 76.1 mt -65.66 -41.87 92.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.81 -179.312 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 28.3 mt-30 -55.22 -36.06 65.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.113 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -53.34 -47.53 69.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.92 -60.95 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.614 ' HG2' ' H ' ' A' ' 73' ' ' THR . 82.0 tttt 48.79 -133.34 1.47 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.726 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.614 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 69.3 p -83.04 40.93 0.72 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.905 0.383 . . . . 0.0 110.152 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 65.23 128.69 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.985 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.459 ' HD2' ' H ' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -61.37 -33.23 73.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.597 -179.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.459 ' H ' ' HD2' ' A' ' 75' ' ' HIS . 43.0 tt0 -175.21 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 88.0 m -63.28 137.08 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.4 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.83 136.4 0.91 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.779 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -80.48 42.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.35 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.5 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.24 -0.886 . . . . 0.0 111.257 179.799 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.665 0.269 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 58.71 47.82 12.4 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 72.0 p -56.58 -41.41 76.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.979 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.745 179.824 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.663 ' HG2' ' HG ' ' A' ' 63' ' ' LEU . 15.4 mp0 -108.98 132.79 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.532 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.499 ' HB ' ' HB3' ' A' ' 20' ' ' GLU . 55.0 p -152.07 147.46 26.51 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 111.677 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.54 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -148.35 130.01 15.02 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.418 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.412 ' HG3' HH11 ' B' ' 8' ' ' ARG . 51.2 mtm-85 -80.16 161.32 25.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.718 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.492 ' HE3' ' CZ ' ' A' ' 21' ' ' TYR . . . . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.383 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t 57.34 40.62 27.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.126 0.489 . . . . 0.0 110.551 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 73.4 p -69.67 -133.16 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.509 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -57.86 139.3 47.43 Favored Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.488 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.72 -134.05 1.78 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.393 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt 67.01 -73.34 0.08 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.392 0.277 . . . . 0.0 111.309 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.54 135.79 0.04 OUTLIER Pre-proline 0 CA--C 1.53 0.175 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.574 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -61.41 133.6 46.98 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.578 2.185 . . . . 0.0 112.275 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.4 136.84 45.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.521 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.554 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.747 0.308 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.405 ' N ' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER -172.08 140.39 1.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.632 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -57.02 134.47 21.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.799 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 4.6 tp10 59.34 -125.28 1.26 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.039 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.526 ' HG2' ' H ' ' A' ' 13' ' ' VAL . 74.9 tt0 -177.04 -129.79 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.526 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 8.6 p -61.83 138.26 22.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-O 120.719 0.295 . . . . 0.0 110.782 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.9 tp -167.24 129.11 1.63 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.076 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.82 -141.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.796 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.78 139.68 51.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.833 0.349 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -58.62 -28.24 65.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.672 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.758 ' HG2' ' H ' ' B' ' 12' ' ' GLY . 91.1 mt-10 -48.09 130.48 15.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.999 0.428 . . . . 0.0 111.643 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 4.8 mm-40 -93.67 149.24 21.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.025 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 46.7 mt-10 -77.82 136.27 38.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.988 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.443 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 9.0 m-85 -128.75 139.96 51.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.004 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.491 HG22 HH12 ' B' ' 4' ' ' MLY . 53.1 t -54.01 140.81 10.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.065 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.624 ' CG1' HD22 ' A' ' 40' ' ' LEU . 82.3 t -129.93 127.61 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.435 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -81.97 -54.13 5.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.716 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.715 ' HA ' HD12 ' A' ' 63' ' ' LEU . 63.5 tttp 177.92 140.14 0.08 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.831 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.7 ' HA ' HD23 ' A' ' 40' ' ' LEU . 17.7 m -63.22 133.65 28.85 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.373 0 CA-C-O 120.952 0.406 . . . . 0.0 110.911 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 3.0 mm? -87.12 -17.04 33.71 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.577 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 31.2 t0 -176.36 -147.67 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.207 -0.597 . . . . 0.0 112.072 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 43.4 ttp85 -168.9 136.17 1.89 Allowed 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.192 -179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.451 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 40.4 ptt180 -155.45 141.89 18.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.972 0.415 . . . . 0.0 111.95 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.29 137.1 46.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.151 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.762 HG23 ' HG2' ' A' ' 33' ' ' LYS . 34.8 m -104.58 -38.8 5.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.405 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.762 ' HG2' HG23 ' A' ' 32' ' ' VAL . 22.1 pttp -167.85 45.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.76 -35.63 4.0 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.608 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -82.2 142.45 32.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.89 0.376 . . . . 0.0 111.001 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.726 ' HB ' ' HG3' ' A' ' 55' ' ' GLU . 2.4 t -110.58 92.48 2.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.93 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -88.7 127.52 35.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.165 0.507 . . . . 0.0 111.197 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.502 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 21.7 m-85 -104.75 126.15 51.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.105 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.832 HD11 ' HB3' ' A' ' 50' ' ' ASN . 14.7 tp -59.79 143.45 51.04 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 26' ' ' VAL . 74.8 mt -145.48 133.04 20.87 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -177.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 6.9 tmtm? -86.42 96.59 10.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.8 178.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.472 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 40.4 m95 -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.166 0.508 . . . . 0.0 112.247 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -66.35 142.05 57.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.92 -49.69 3.51 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.005 -0.617 . . . . 0.0 112.609 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -64.11 141.5 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.522 0.201 . . . . 0.0 110.503 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.515 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.8 m -50.07 139.5 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.747 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -52.17 -46.46 65.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.962 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 23.5 pt-20 -57.39 -31.59 65.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.268 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.515 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -76.33 39.32 0.2 Allowed 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -179.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.832 ' HB3' HD11 ' A' ' 39' ' ' LEU . 67.4 m-20 -68.23 142.73 55.55 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.472 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 90.9 m -136.35 128.2 29.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.006 0.431 . . . . 0.0 111.821 -179.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.654 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.9 m95 -78.7 149.17 32.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.16 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.499 ' O ' HD23 ' A' ' 58' ' ' LEU . 65.1 mm-40 -140.39 128.92 12.96 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.673 0.273 . . . . 0.0 111.364 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.52 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 49.2 Cg_exo -56.01 143.56 82.48 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.577 2.185 . . . . 0.0 111.778 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.726 ' HG3' ' HB ' ' A' ' 36' ' ' VAL . 54.9 mt-10 -50.56 -37.04 37.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.887 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -64.94 -49.47 70.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.662 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.41 HD22 ' CG ' ' A' ' 54' ' ' PRO . 77.3 m-20 -66.26 -53.97 30.45 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.571 ' C ' HD12 ' A' ' 58' ' ' LEU . 3.0 pp -61.14 166.14 3.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.076 0.465 . . . . 0.0 111.46 -179.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.786 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 38.8 t70 -137.4 50.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.662 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.761 ' HB2' HD23 ' A' ' 63' ' ' LEU . 24.7 p -128.32 54.88 14.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.183 -179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.24 -45.11 43.43 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.591 2.194 . . . . 0.0 112.562 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.72 -33.81 66.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.002 0.429 . . . . 0.0 110.488 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.761 HD23 ' HB2' ' A' ' 60' ' ' CYS . 2.6 mm? -67.0 -44.37 80.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.808 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.445 HD12 ' N ' ' A' ' 64' ' ' ILE . 2.0 mp -60.84 -47.22 94.3 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-O 120.781 0.324 . . . . 0.0 110.676 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -59.67 -46.43 89.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -59.16 -41.58 88.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.633 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.571 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 29.2 t80 -55.45 -49.29 72.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.161 179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.59 -37.79 85.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.474 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 98.2 mm-40 -54.23 -40.61 67.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.977 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.2 t -55.04 -36.37 65.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.789 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.771 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 71.3 mt-30 -77.31 54.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.21 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.568 ' HB3' ' NZ ' ' A' ' 72' ' ' LYS . 6.2 ttpm? -167.72 132.97 1.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.869 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 73' ' ' THR . 10.2 m 53.56 28.06 7.38 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.448 0.642 . . . . 0.0 110.17 -179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 178.0 -41.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.204 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.771 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 22.6 t-80 58.81 -122.4 1.25 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.301 179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -78.46 34.44 0.21 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.613 0.244 . . . . 0.0 111.198 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.4 ' H ' ' C ' ' A' ' 75' ' ' HIS . 71.0 p 54.24 111.64 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.017 -0.538 . . . . 0.0 112.02 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -74.3 -43.38 57.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.804 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.606 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 5.7 ttpm? -170.65 134.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.652 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.777 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.541 0.21 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.505 ' NE ' ' HA ' ' B' ' 2' ' ' ARG . 13.3 mmp_? 54.29 44.79 28.5 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.811 0.339 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.42 HG22 ' O ' ' B' ' 3' ' ' THR . 16.8 m -78.85 48.77 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.491 HH12 HG22 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 0.0 110.582 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' B' ' 5' ' ' GLN . 0.7 OUTLIER -75.98 140.87 42.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.612 -179.519 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 65.0 p -148.95 110.24 4.41 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.376 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.786 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -69.46 -155.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.075 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.742 HH12 ' HB2' ' A' ' 59' ' ' ASP . 63.7 mtt85 -156.08 137.98 14.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.02 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.431 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.721 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 53.4 m -58.24 122.64 13.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.612 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 80.5 p 47.38 53.08 11.42 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.355 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.758 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -49.67 140.49 15.23 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.603 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' B' ' 14' ' ' LYS . . . 81.82 -45.39 3.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.206 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' B' ' 13' ' ' GLY . 62.6 tttp 73.43 -41.7 0.5 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 122.818 0.447 . . . . 0.0 111.788 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . 65.89 137.26 0.05 OUTLIER Pre-proline 0 N--CA 1.463 0.183 0 CA-C-O 120.783 0.325 . . . . 0.0 111.209 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 51.0 Cg_exo -54.66 131.96 48.81 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.477 2.118 . . . . 0.0 112.293 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 177.29 -44.53 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.434 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.678 179.865 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.897 0.379 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -58.45 -44.29 89.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.96 -41.0 90.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 58.45 53.89 5.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.041 0.448 . . . . 0.0 110.825 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -61.65 132.45 53.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t 63.88 137.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.759 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.508 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.1 mp -63.7 135.42 56.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.569 179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -63.23 136.78 57.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.082 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -62.48 137.68 58.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.175 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 91.1 mt-10 -121.48 -155.91 0.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.72 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -80.94 -47.36 13.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.875 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 56.94 125.83 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.584 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.887 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 0.9 OUTLIER -79.87 137.02 36.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.196 0.522 . . . . 0.0 112.014 -179.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -122.92 133.36 54.4 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.46 179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.548 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 57.8 t -64.0 134.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.066 HG11 HD23 ' A' ' 40' ' ' LEU . 41.6 t -124.38 130.9 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -69.93 -50.12 45.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -179.69 142.32 0.17 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.797 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.523 HG11 HD13 ' A' ' 64' ' ' ILE . 17.9 m -64.78 133.05 30.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.534 ' HB2' ' CG ' ' A' ' 39' ' ' LEU . 89.4 mt -78.36 -32.54 49.04 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.437 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 16.8 t70 -170.6 -153.65 0.1 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.183 -0.607 . . . . 0.0 111.878 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.509 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.4 ptt180 -168.61 142.27 3.08 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.372 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.492 HH12 HG12 ' A' ' 32' ' ' VAL . 39.1 ptt85 -155.65 144.69 20.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 111.217 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.1 t -92.72 143.04 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.972 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.669 HG23 ' HG2' ' A' ' 33' ' ' LYS . 31.6 m -101.61 -40.69 7.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.725 0.298 . . . . 0.0 111.701 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.669 ' HG2' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -169.7 53.04 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.155 0.503 . . . . 0.0 110.374 -179.632 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.67 -25.38 28.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.885 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.501 ' HB3' ' H ' ' A' ' 36' ' ' VAL . 94.2 mttt -74.99 -155.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.23 0.538 . . . . 0.0 111.04 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 38.9 t -145.57 145.71 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.01 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.862 ' HG2' ' HB3' ' A' ' 52' ' ' TRP . 27.7 tt0 -151.33 127.0 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.249 -178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.537 ' HB2' HD11 ' A' ' 58' ' ' LEU . 12.5 m-85 -119.58 144.09 47.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 111.891 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.647 ' C ' HD12 ' A' ' 40' ' ' LEU . 14.1 tp -88.07 145.55 25.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.36 178.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.066 HD23 HG11 ' A' ' 23' ' ' VAL . 5.3 mp -140.92 135.47 31.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.034 0.445 . . . . 0.0 111.606 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -81.29 67.03 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.043 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.689 ' HE1' ' H ' ' A' ' 51' ' ' THR . 19.7 m95 -47.88 133.9 13.86 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.79 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.548 ' HD3' ' HB ' ' A' ' 22' ' ' VAL . 22.2 pttp -58.08 140.26 52.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.299 -179.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.57 -36.33 1.6 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 0.0 111.608 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.524 ' HB2' ' HB2' ' A' ' 42' ' ' TRP . 1.3 m-85 -74.18 128.71 36.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 110.951 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 m -69.76 -166.45 0.11 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.279 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 56.6 m-20 -65.28 -51.99 57.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.36 -38.47 87.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.789 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.47 -34.85 64.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.451 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.632 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 80.4 m-20 -51.08 142.13 12.87 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 111.368 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.689 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 9.3 t -137.58 131.39 31.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.763 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.862 ' HB3' ' HG2' ' A' ' 37' ' ' GLU . 5.9 m95 -72.67 142.63 48.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.387 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.676 ' HB2' HD21 ' A' ' 58' ' ' LEU . 52.6 mm-40 -135.32 139.78 32.53 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.317 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.75 ' HG2' HD22 ' A' ' 57' ' ' ASN . 8.5 Cg_endo -50.2 131.57 31.48 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.47 2.113 . . . . 0.0 111.81 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 17.6 tp10 -50.65 -28.61 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.492 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -55.09 -50.95 67.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.195 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.75 HD22 ' HG2' ' A' ' 54' ' ' PRO . 77.3 m-20 -71.35 -36.69 71.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 111.324 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 53' ' ' GLU . 16.5 mt -52.08 139.13 23.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.264 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.689 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -130.72 54.5 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.774 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' B' ' 5' ' ' GLN . 64.1 m -142.43 57.89 6.85 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.892 -179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.6 Cg_exo -52.71 -38.58 77.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.516 2.144 . . . . 0.0 111.978 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.531 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 64.7 t0 -60.87 -45.36 94.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.593 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 66' ' ' GLU . 53.0 mt -63.67 -39.92 95.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.383 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.601 ' O ' HD23 ' A' ' 68' ' ' LEU . 47.2 mm -55.38 -51.46 56.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.535 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -57.26 -39.75 76.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.364 179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.619 ' HA ' HE21 ' A' ' 69' ' ' GLN . 97.3 mt-10 -56.79 -41.85 78.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.67 ' CD2' HD22 ' A' ' 68' ' ' LEU . 15.6 t80 -62.97 -52.64 62.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.526 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 67' ' ' PHE . 3.4 mm? -56.31 -33.46 65.59 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.619 HE21 ' HA ' ' A' ' 66' ' ' GLU . 74.1 mt-30 -50.47 -37.1 36.7 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.4 t -58.63 -49.18 78.45 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.489 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 73.4 mt-30 -88.94 47.67 1.53 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.403 178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -156.51 133.23 10.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.891 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.49 ' O ' HG22 ' A' ' 73' ' ' THR . 20.3 m 56.31 15.94 2.16 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.839 0.828 . . . . 0.0 109.258 -178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' O ' ' A' ' 75' ' ' HIS . . . 171.67 54.53 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 114.325 -1.307 . . . . 0.0 108.633 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 23.6 m170 -56.11 -140.51 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.9 -178.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -63.14 136.77 57.95 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.067 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 10.0 t -173.62 30.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.023 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -88.26 -54.19 4.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.645 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -75.09 135.73 41.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.194 -0.908 . . . . 0.0 110.737 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.936 0.398 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.422 HH11 ' HG3' ' B' ' 2' ' ' ARG . 32.0 ptt85 -173.43 43.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.828 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 67.8 p -60.71 -45.05 95.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.43 HH23 HG11 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.518 ' HB3' ' SG ' ' A' ' 60' ' ' CYS . 0.7 OUTLIER 65.36 130.99 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.809 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.526 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 40.0 p -153.39 115.44 4.33 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.738 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.689 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -71.29 -7.29 46.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.455 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.887 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 88.4 mtm180 65.82 -110.76 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.495 ' HG2' ' N ' ' B' ' 10' ' ' SER . . . . . . . . 0 CA--C 1.533 0.305 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.977 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.495 ' N ' ' HG2' ' B' ' 9' ' ' MLY . 95.4 p -169.58 55.09 0.04 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.766 0.317 . . . . 0.0 110.328 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p 54.32 44.17 29.39 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.127 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.89 123.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.911 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.28 -46.66 3.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.288 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -69.81 -142.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.651 0.263 . . . . 0.0 111.129 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -173.5 136.93 0.71 Allowed Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.86 -45.91 18.47 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.47 2.113 . . . . 0.0 112.331 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.54 -43.38 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.375 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.745 0.307 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.443 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 10.6 mmt -62.76 131.38 48.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -65.94 129.82 30.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.403 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HB2' ' H ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -78.49 -138.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.256 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 36.3 tt0 59.18 -118.17 0.92 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.668 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 12' ' ' GLU . 45.0 t -57.62 129.67 19.76 Favored 'Isoleucine or valine' 0 C--O 1.231 0.084 0 CA-C-O 120.816 0.341 . . . . 0.0 111.179 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.935 HD13 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -84.15 -169.77 2.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.985 179.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.73 ' HG3' HD23 ' A' ' 14' ' ' LEU . 56.4 mt-10 47.59 -146.76 0.23 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 50.9 52.1 15.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -164.72 -140.94 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -58.98 125.76 24.9 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.757 0.313 . . . . 0.0 111.0 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 39.3 tt0 -94.01 140.36 29.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.232 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.716 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 92.8 mt-10 -74.2 131.2 41.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.944 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.426 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.7 m-85 -117.66 143.23 46.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.905 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.639 HG22 ' HD2' ' B' ' 4' ' ' MLY . 92.3 t -55.35 135.03 18.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.84 HG22 ' HZ3' ' A' ' 42' ' ' TRP . 10.6 t -117.9 135.43 58.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.568 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -86.74 -74.99 0.41 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -158.3 135.91 10.35 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.152 0.501 . . . . 0.0 111.368 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.556 HG23 HD21 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -60.7 134.65 26.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.591 179.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.803 HD12 ' HG ' ' A' ' 39' ' ' LEU . 89.8 mt -97.03 -40.33 8.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -174.72 -144.0 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.415 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HA ' ' HA ' ' A' ' 38' ' ' TYR . 15.7 ptm180 -168.95 147.22 3.9 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.62 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.563 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 16.4 ptm180 -155.12 138.81 16.1 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.833 0.349 . . . . 0.0 111.59 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 35' ' ' LYS . 58.3 t -88.19 138.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.451 178.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.9 t -88.1 -50.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.841 0.353 . . . . 0.0 111.521 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -171.08 42.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.955 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 124.63 -31.19 4.45 Favored Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.179 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' O ' HG13 ' A' ' 31' ' ' VAL . 56.5 mtpt -78.6 -151.57 0.05 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.094 0.473 . . . . 0.0 110.653 179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 7.5 p -166.8 136.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.102 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -145.1 127.98 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.792 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 29' ' ' ARG . 5.5 m-85 -98.62 143.47 28.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.33 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.834 HD11 ' HB3' ' A' ' 50' ' ' ASN . 24.9 tp -82.75 140.08 33.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.86 178.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD21 HG23 ' A' ' 26' ' ' VAL . 4.7 mp -154.98 135.73 13.59 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.886 0.374 . . . . 0.0 111.819 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.831 ' HE2' ' HA ' ' A' ' 47' ' ' ASP . 27.7 tptp -77.01 127.62 33.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.616 178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.84 ' HZ3' HG22 ' A' ' 23' ' ' VAL . 30.7 m95 -106.41 129.86 54.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.111 0.481 . . . . 0.0 111.507 -179.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -56.7 144.0 34.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.728 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.66 -47.64 3.69 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.938 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.451 ' HD1' ' H ' ' A' ' 45' ' ' PHE . 1.5 m-85 -67.63 145.82 54.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.803 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.636 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 50.1 m -49.1 151.35 1.35 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.248 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.831 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 11.8 p-10 -55.64 -55.49 31.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.194 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.609 ' OE2' ' HB3' ' A' ' 46' ' ' SER . 1.2 pm0 -68.12 -11.09 58.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.629 0.252 . . . . 0.0 111.071 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.636 ' HB2' ' HB2' ' A' ' 46' ' ' SER . 31.8 t70 -75.38 24.8 0.11 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.244 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.834 ' HB3' HD11 ' A' ' 39' ' ' LEU . 68.4 m-20 -63.5 139.1 58.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.718 0.294 . . . . 0.0 110.449 179.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.454 HG22 ' OE2' ' A' ' 53' ' ' GLU . 85.2 m -136.24 126.87 27.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.262 -179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.578 ' NE1' HD13 ' A' ' 39' ' ' LEU . 9.0 m95 -76.43 131.87 39.32 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.689 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.596 ' HB2' HD21 ' A' ' 58' ' ' LEU . 50.7 mm-40 -111.95 147.01 35.97 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 24.4 Cg_exo -59.7 136.36 70.12 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.059 1.839 . . . . 0.0 111.214 179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -51.33 -42.77 61.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.389 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' OD1' ' A' ' 57' ' ' ASN . 15.3 pt-20 -61.6 -43.15 99.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 110.785 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.456 ' OD1' ' HB2' ' A' ' 54' ' ' PRO . 2.6 m120 -61.28 -35.49 77.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.827 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.596 HD21 ' HB2' ' A' ' 53' ' ' GLU . 20.3 mt -55.49 146.11 21.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.368 -179.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.519 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.4 t70 -139.69 52.41 1.71 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.698 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 25.2 p -165.7 60.62 0.67 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.675 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.576 ' HA ' HD12 ' A' ' 64' ' ' ILE . 76.5 Cg_exo -50.55 -26.16 16.09 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.751 2.301 . . . . 0.0 112.587 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' HB3' ' NE2' ' B' ' 5' ' ' GLN . 8.3 t70 -51.16 -43.5 61.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.075 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.518 HD21 ' OE1' ' B' ' 5' ' ' GLN . 76.7 mt -67.7 -40.77 84.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.897 0.38 . . . . 0.0 110.046 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 61' ' ' PRO . 67.6 mt -55.36 -43.54 71.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.943 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -63.01 -41.71 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.898 178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.536 ' HA ' ' OE1' ' A' ' 69' ' ' GLN . 39.3 tt0 -56.43 -36.62 69.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.321 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.487 ' HB3' ' O ' ' A' ' 64' ' ' ILE . 19.0 t80 -59.68 -56.33 23.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.383 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.5 mp -63.94 -28.74 70.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.045 -179.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 84.9 mt-30 -48.82 -43.48 38.42 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.219 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.6 m -66.04 -46.05 79.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.929 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -83.23 48.77 1.43 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.829 ' HA ' ' HB2' ' A' ' 75' ' ' HIS . 63.0 tttp -115.67 -43.3 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.0 t -53.11 -31.71 43.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.416 0.627 . . . . 0.0 109.41 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 76' ' ' GLU . . . -133.45 39.03 3.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.888 -1.051 . . . . 0.0 109.101 178.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.829 ' HB2' ' HA ' ' A' ' 72' ' ' LYS . 76.1 t60 -54.54 -37.31 65.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.096 -0.957 . . . . 0.0 111.465 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 74' ' ' ALA . 95.5 mt-10 67.79 134.24 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.238 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 81.8 p -66.18 -46.38 77.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.601 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -58.98 136.95 58.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.019 0.438 . . . . 0.0 111.281 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.7 -47.92 81.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.2 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.979 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.826 0.346 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.693 HH21 ' HG2' ' B' ' 5' ' ' GLN . 79.6 mtp180 -62.83 129.31 39.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.457 ' OG1' ' HD3' ' B' ' 4' ' ' MLY . 77.3 p -73.25 -57.39 4.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.639 ' HD2' HG22 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--O 1.233 0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.654 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.693 ' HG2' HH21 ' B' ' 2' ' ' ARG . 69.7 mt-30 67.14 134.97 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.686 ' HA ' HG23 ' A' ' 23' ' ' VAL . 68.3 p -143.86 140.34 29.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.608 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.579 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -123.23 27.96 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.236 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.716 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 72.3 mtt-85 47.89 -143.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.256 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.518 ' HA ' ' OE1' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.23 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 86.8 p -53.92 122.49 10.16 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.087 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 47.7 p -151.21 -59.77 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.435 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 50.09 -122.65 12.35 Favored Glycine 0 C--N 1.333 0.371 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.673 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.471 ' O ' ' HG3' ' B' ' 16' ' ' PRO . . . -164.28 134.23 3.29 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.271 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.479 ' N ' ' HD2' ' B' ' 14' ' ' LYS . 12.7 mptt -59.95 137.68 58.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 111.094 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.501 ' N ' ' HD3' ' B' ' 16' ' ' PRO . . . 60.95 60.06 3.36 Favored Pre-proline 0 C--N 1.332 -0.19 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.533 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.501 ' HD3' ' N ' ' B' ' 15' ' ' ALA . 5.0 Cg_exo -76.17 40.43 0.75 Allowed 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.894 2.396 . . . . 0.0 112.42 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.49 -136.53 0.07 OUTLIER Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.716 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.554 -179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 m80 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.852 0.358 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 ptp -69.45 -142.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 10' ' ' VAL . 12.8 p -80.58 42.64 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-O 121.227 0.537 . . . . 0.0 111.282 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -70.25 128.69 37.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -83.17 -150.57 0.1 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.041 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 13' ' ' VAL . 20.0 t -84.67 53.88 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 CA-C-O 121.071 0.462 . . . . 0.0 110.816 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 92.9 mt -78.58 45.48 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.289 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -59.88 -36.85 77.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.781 0.324 . . . . 0.0 110.932 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 50.2 mt-10 62.53 39.92 11.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 16' ' ' GLU . 44.2 tp10 72.95 -46.28 0.64 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.731 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.671 ' HB3' ' HD2' ' B' ' 8' ' ' ARG . 50.3 mt-10 -64.3 121.06 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.56 ' HB3' ' CE1' ' A' ' 21' ' ' TYR . 39.2 tt0 -116.15 142.34 46.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.005 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -74.89 73.87 2.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.271 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 19' ' ' GLU . 7.0 m-85 -60.44 136.29 58.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.842 0.354 . . . . 0.0 110.961 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.452 HG22 ' HD2' ' B' ' 4' ' ' MLY . 62.0 t -62.28 136.52 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.881 HG11 HD23 ' A' ' 40' ' ' LEU . 19.1 t -127.5 129.72 70.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.16 -53.23 13.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.299 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -177.87 136.38 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.639 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.581 HG12 ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -65.8 130.34 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.866 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 86.5 mt -81.99 -49.24 10.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.362 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.87 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 2.1 m-20 -146.05 -158.42 0.9 Allowed 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HG2' ' HE2' ' A' ' 67' ' ' PHE . 36.6 ptt85 -169.02 134.31 1.58 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.46 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 39.8 ptt180 -157.01 141.88 16.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 111.853 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 36' ' ' VAL . 94.0 t -100.92 139.61 21.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.24 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -127.73 -80.65 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.323 . . . . 0.0 110.754 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.592 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . 5.2 mtpm? -85.37 42.66 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.763 179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.5 -24.16 5.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.567 -0.825 . . . . 0.0 111.399 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -75.25 142.62 43.34 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.991 0.424 . . . . 0.0 111.125 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' A' ' 31' ' ' VAL . 4.8 t -98.89 83.51 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.48 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -87.38 127.01 35.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.208 0.527 . . . . 0.0 111.145 -179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.615 ' HB2' HD11 ' A' ' 58' ' ' LEU . 7.6 m-85 -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.225 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.87 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 14.4 tp -85.05 136.15 33.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.646 178.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.881 HD23 HG11 ' A' ' 23' ' ' VAL . 4.6 mp -151.07 140.97 21.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.752 0.311 . . . . 0.0 111.484 -179.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -83.18 140.29 32.66 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.404 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 7.1 m95 -119.52 134.39 55.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.05 0.452 . . . . 0.0 111.134 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.591 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -58.52 147.99 30.08 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.84 -179.215 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.95 -49.74 3.78 Favored Glycine 0 C--N 1.331 0.298 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.77 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -71.78 140.32 49.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.814 0.34 . . . . 0.0 110.792 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.8 m -51.54 146.79 6.98 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.224 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.61 -41.43 73.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.983 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -62.93 -21.02 65.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.38 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -75.63 43.17 0.24 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.777 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.641 ' HB3' HD11 ' A' ' 39' ' ' LEU . 5.4 m120 -57.37 142.61 43.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.682 -0.235 . . . . 0.0 110.732 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.468 HG22 ' OE1' ' A' ' 53' ' ' GLU . 89.2 m -145.66 116.16 7.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 111.173 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.569 ' CZ2' HD22 ' A' ' 39' ' ' LEU . 8.7 m95 -85.45 117.66 24.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.262 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.629 ' HB2' HD21 ' A' ' 58' ' ' LEU . 3.1 mm-40 -107.55 142.04 24.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.491 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.864 ' HG2' HD22 ' A' ' 57' ' ' ASN . 5.8 Cg_endo -49.56 133.1 31.55 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.633 2.222 . . . . 0.0 111.778 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 16.5 tp10 -56.84 -33.69 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.901 -179.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.56 -48.29 69.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.575 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.864 HD22 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -72.34 -36.0 68.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.811 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' ' 53' ' ' GLU . 25.5 mt -48.79 140.36 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.999 0.428 . . . . 0.0 111.616 -178.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -132.83 48.75 2.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.002 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.847 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 70.1 m -126.44 64.19 54.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 -179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.03 -44.53 48.79 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.461 2.108 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.76 ' H ' HE21 ' B' ' 5' ' ' GLN . 61.7 m-20 -67.18 -44.45 79.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.573 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.584 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 52.5 mt -62.37 -43.85 97.85 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.655 0.264 . . . . 0.0 111.009 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.691 ' O ' HD13 ' A' ' 68' ' ' LEU . 87.3 mt -55.13 -47.82 76.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.231 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' O ' ' HB2' ' A' ' 69' ' ' GLN . . . -59.55 -35.49 74.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.119 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 52.7 mt-10 -62.44 -41.13 98.5 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.376 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 9.8 t80 -71.46 -51.42 23.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.146 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 64' ' ' ILE . 5.5 mp -65.33 -21.4 66.7 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.214 0.531 . . . . 0.0 109.893 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' A' ' 65' ' ' ALA . 51.0 tp60 -49.31 -41.99 40.09 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.746 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.2 m -62.18 -44.97 95.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.612 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.703 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER -71.12 -124.17 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.88 178.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.545 ' HG2' ' H ' ' A' ' 73' ' ' THR . 51.6 tttp 59.18 -133.34 0.95 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.545 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 86.1 m -64.72 -52.5 56.77 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 120.869 0.366 . . . . 0.0 110.609 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.18 41.26 0.75 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.703 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 0.4 OUTLIER -68.33 -135.98 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.262 -179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.53 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 56.1 mt-10 62.37 44.6 7.21 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.825 0.345 . . . . 0.0 111.319 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 89.4 m -66.02 136.5 56.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.07 127.56 32.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.921 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -83.71 45.42 1.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.753 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.806 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.51 -140.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 81.0 p -65.65 128.25 35.2 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.822 0.344 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.552 ' HG3' HG23 ' B' ' 6' ' ' THR . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.847 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 12.1 mm100 -99.08 -43.58 6.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.78 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.552 HG23 ' HG3' ' B' ' 4' ' ' MLY . 17.7 p 63.32 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.288 0.566 . . . . 0.0 112.036 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -144.66 116.56 8.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.997 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.671 ' HD2' ' HB3' ' A' ' 18' ' ' GLU . 84.6 mtm180 -59.82 110.9 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.623 ' HG2' ' HA3' ' B' ' 13' ' ' GLY . . . . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.381 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 50.4 m 62.37 -158.3 0.33 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.267 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.3 p -80.8 125.51 30.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.671 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.661 ' HA3' ' NZ ' ' B' ' 14' ' ' LYS . . . 74.66 -54.72 2.5 Favored Glycine 0 C--N 1.333 0.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 113.263 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.623 ' HA3' ' HG2' ' B' ' 9' ' ' MLY . . . 62.95 52.37 48.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.718 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.661 ' NZ ' ' HA3' ' B' ' 12' ' ' GLY . 0.0 OUTLIER -159.44 33.89 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.941 0.4 . . . . 0.0 110.841 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.61 57.43 8.81 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.562 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.47 ' HB2' ' H ' ' B' ' 17' ' ' GLY . 45.9 Cg_endo -67.43 -142.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.409 2.073 . . . . 0.0 112.254 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.47 ' H ' ' HB2' ' B' ' 16' ' ' PRO . . . 176.88 -135.11 2.72 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.559 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.296 -1.28 . . . . 0.0 112.483 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.847 0.356 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.8 tpp -171.64 -47.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.591 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 11' ' ' GLU . 7.7 p -175.52 -46.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.848 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 10' ' ' VAL . 11.6 pt-20 36.17 -137.17 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.812 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.49 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 43.8 tt0 -166.49 141.15 4.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.325 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.9 t -58.81 109.42 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.414 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 12' ' ' GLU . 1.3 pp 177.19 36.26 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.707 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.768 ' HG2' ' HG3' ' A' ' 16' ' ' GLU . 44.6 tt0 -62.94 138.96 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.498 -179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.768 ' HG3' ' HG2' ' A' ' 15' ' ' GLU . 49.2 mt-10 74.07 -51.09 0.69 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.961 179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' GLU . 93.7 mt-10 73.51 -53.96 0.69 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 122.718 0.407 . . . . 0.0 111.417 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.739 ' HB3' ' HB3' ' B' ' 8' ' ' ARG . 89.1 mt-10 -65.89 125.52 25.65 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.648 0.261 . . . . 0.0 110.706 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.623 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 42.5 tp10 -84.56 136.01 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 0.0 111.293 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -78.45 77.98 4.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.434 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.623 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 5.5 m-85 -61.04 141.66 57.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.773 0.32 . . . . 0.0 110.716 179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.73 HG11 HH12 ' B' ' 4' ' ' MLY . 46.6 t -56.12 -43.47 75.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 -178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.757 HG21 ' HB3' ' B' ' 7' ' ' ALA . 21.8 t 67.1 143.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.84 0.352 . . . . 0.0 111.031 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.587 ' HG2' ' HG2' ' A' ' 25' ' ' LYS . 38.7 tt0 -95.21 -52.59 4.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.604 ' HA ' HD23 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -173.43 149.38 1.7 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -178.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.415 ' HA ' ' HG ' ' A' ' 40' ' ' LEU . 1.2 t -72.1 144.1 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 114.591 -1.186 . . . . 0.0 110.601 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.678 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 3.1 mm? -108.72 -39.67 5.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.738 -0.21 . . . . 0.0 111.522 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 36.9 t0 -171.28 -146.31 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.403 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.511 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 32.2 ptt85 -168.79 141.34 2.77 Favored 'General case' 0 C--O 1.231 0.12 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 2.8 ptm85 -155.58 137.04 14.07 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -95.88 132.73 39.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.256 178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.757 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -94.07 -30.3 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.096 0.474 . . . . 0.0 111.222 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.757 ' HG2' HG23 ' A' ' 32' ' ' VAL . 60.0 pttt -159.9 -31.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.192 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -173.74 -22.53 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.917 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.601 ' HG2' HG22 ' A' ' 32' ' ' VAL . 21.8 ptmt -76.59 159.45 30.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.588 HG12 ' HE1' ' A' ' 38' ' ' TYR . 1.9 t -115.94 81.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.772 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -87.46 127.54 35.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.315 0.578 . . . . 0.0 111.381 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.588 ' HE1' HG12 ' A' ' 36' ' ' VAL . 8.1 m-85 -106.44 143.71 34.16 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.811 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.907 HD11 ' HB3' ' A' ' 50' ' ' ASN . 19.3 tp -83.19 140.64 32.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.52 ' CD2' HG11 ' A' ' 23' ' ' VAL . 4.9 mp -152.16 133.62 14.56 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.414 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HB2' ' NZ ' ' A' ' 41' ' ' LYS . 4.9 ttmp? -74.85 134.02 41.76 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.536 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 33.8 m95 -107.59 134.39 50.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 0.0 111.478 -178.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -62.55 145.4 54.43 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.121 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.86 -51.24 4.28 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.533 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -70.89 139.77 50.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.67 0.271 . . . . 0.0 110.437 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.1 m -52.72 144.44 14.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.812 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -55.03 -34.19 63.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.974 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -63.64 -27.78 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.807 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -76.5 43.94 0.33 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.599 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.907 ' HB3' HD11 ' A' ' 39' ' ' LEU . 4.6 m120 -60.72 143.68 53.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.652 0.263 . . . . 0.0 110.584 179.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 96.7 m -145.78 121.47 10.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.984 0.421 . . . . 0.0 111.565 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.521 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.8 m95 -83.84 154.52 23.44 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.132 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.71 ' HG3' HD21 ' A' ' 58' ' ' LEU . 16.2 pt-20 -149.05 138.8 12.88 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.444 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.709 ' O ' HD23 ' A' ' 58' ' ' LEU . 17.7 Cg_endo -57.89 126.85 22.98 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.539 2.159 . . . . 0.0 112.107 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 5.0 tm-20 -41.46 -34.15 0.51 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.76 -179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.74 -50.72 43.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.708 HD22 ' HG2' ' A' ' 54' ' ' PRO . 77.1 m-20 -72.82 -30.75 64.29 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.727 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.71 HD21 ' HG3' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -44.38 132.12 6.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.005 0.431 . . . . 0.0 111.71 -179.283 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -122.31 41.83 3.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.846 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.891 ' HB2' HD13 ' A' ' 63' ' ' LEU . 25.7 p -155.7 59.05 2.0 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.549 -179.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.3 -29.46 30.11 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.904 2.403 . . . . 0.0 112.184 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.661 ' HB3' HE21 ' B' ' 5' ' ' GLN . 33.3 t70 -56.0 -39.94 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.137 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.891 HD13 ' HB2' ' A' ' 60' ' ' CYS . 7.4 mp -70.35 -42.34 71.99 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.774 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 64' ' ' ILE . 2.1 mp -59.57 -44.05 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -66.66 -43.95 83.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.201 179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' HA ' ' NE2' ' A' ' 69' ' ' GLN . 89.2 tt0 -56.44 -39.58 73.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 28.7 t80 -61.26 -47.07 87.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.846 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 66.0 mt -69.14 -32.73 72.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.908 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 75.8 mt-30 -53.39 -43.04 67.55 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.885 0.374 . . . . 0.0 110.255 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.7 m -60.42 -32.9 71.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.759 179.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -76.86 39.69 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.013 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.697 ' HA ' ' HB2' ' A' ' 75' ' ' HIS . 75.8 mmtt -143.57 -43.6 0.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.955 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 t -51.33 -26.51 7.67 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.681 0.753 . . . . 0.0 109.295 178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -147.74 43.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.64 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.697 ' HB2' ' HA ' ' A' ' 72' ' ' LYS . 18.4 t-160 -46.58 125.88 7.61 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.992 -178.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.578 ' HG2' ' H ' ' A' ' 77' ' ' THR . 28.0 tt0 53.26 -134.75 1.61 Allowed 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.079 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.578 ' H ' ' HG2' ' A' ' 76' ' ' GLU . 86.1 m -76.94 126.2 30.57 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.655 0.264 . . . . 0.0 110.884 179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -179.3 134.3 0.12 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.036 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp 64.0 135.81 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.433 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.934 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.701 0.286 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.453 ' HG3' ' H ' ' B' ' 3' ' ' THR . 25.4 tpt85 59.55 -122.6 1.13 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.567 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.453 ' H ' ' HG3' ' B' ' 2' ' ' ARG . 61.8 p 49.99 -146.81 0.38 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.554 0.216 . . . . 0.0 111.486 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.73 HH12 HG11 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.068 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.661 HE21 ' HB3' ' A' ' 62' ' ' ASP . 11.8 mm100 -56.89 151.06 15.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 22' ' ' VAL . 61.0 p -147.36 179.87 7.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.995 0.426 . . . . 0.0 111.536 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.757 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -177.1 122.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.921 179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.739 ' HB3' ' HB3' ' A' ' 18' ' ' GLU . 80.4 mtm180 -80.95 138.21 36.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.155 -178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.259 178.729 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.444 ' HB3' ' HD2' ' A' ' 54' ' ' PRO . 79.9 p -57.78 102.77 0.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.76 0.314 . . . . 0.0 110.43 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.9 m 57.71 53.51 7.1 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.056 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.711 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -57.53 136.09 51.04 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.257 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -173.79 52.24 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.801 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -78.27 50.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.77 134.91 78.76 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.347 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.45 144.09 84.25 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.677 2.251 . . . . 0.0 112.11 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.87 45.78 2.27 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.894 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.515 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.795 0.331 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.408 ' O ' ' HG2' ' A' ' 9' ' ' MET . 27.1 ttt -165.16 43.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.184 0.516 . . . . 0.0 110.545 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.3 p -65.08 -38.22 82.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.012 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -168.32 -51.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.649 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -69.72 136.17 50.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.587 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.509 HG22 ' O ' ' A' ' 13' ' ' VAL . 11.4 p -80.03 34.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.289 0.566 . . . . 0.0 111.254 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HB3' ' H ' ' A' ' 15' ' ' GLU . 98.6 mt 47.0 -154.53 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.627 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' H ' ' HB3' ' A' ' 14' ' ' LEU . 59.2 mm-40 55.77 27.23 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.522 179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 35.53 -139.22 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.605 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -174.42 135.33 0.43 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.922 0.391 . . . . 0.0 110.976 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.666 ' HB3' ' HD3' ' B' ' 8' ' ' ARG . 56.7 mt-10 -148.95 133.59 17.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.456 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' B' ' 8' ' ' ARG . 84.5 tt0 -159.89 138.72 10.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.703 0.287 . . . . 0.0 111.331 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.761 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 45.4 mt-10 -76.11 134.04 40.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -112.24 140.27 47.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.46 140.37 11.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.619 ' CG1' HD22 ' A' ' 40' ' ' LEU . 58.8 t -127.37 132.55 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.974 0.416 . . . . 0.0 111.765 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.77 -50.73 7.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.398 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -179.53 138.78 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.0 HG12 HD21 ' A' ' 40' ' ' LEU . 3.1 m -63.9 133.2 29.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD12 ' HG ' ' A' ' 39' ' ' LEU . 85.5 mt -86.79 -35.91 18.86 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.437 ' HB3' ' CH2' ' A' ' 52' ' ' TRP . 35.0 t70 -166.01 145.17 6.06 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -101.87 135.82 42.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.223 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -154.32 132.82 12.05 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.835 0.35 . . . . 0.0 111.173 179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG13 ' O ' ' A' ' 35' ' ' LYS . 38.7 t -90.69 144.17 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.119 0.485 . . . . 0.0 111.42 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.87 HG22 ' HG3' ' A' ' 33' ' ' LYS . 2.8 p -149.92 124.14 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.879 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.87 ' HG3' HG22 ' A' ' 32' ' ' VAL . 43.6 mtmt 62.48 37.01 13.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.094 -178.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.17 -19.08 3.04 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.712 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.515 ' O ' HG13 ' A' ' 31' ' ' VAL . 88.2 mttt -69.08 -150.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.35 0.595 . . . . 0.0 110.958 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.537 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.8 p -169.52 133.95 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.418 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -141.17 139.05 33.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.228 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.44 ' CE2' HG23 ' A' ' 64' ' ' ILE . 9.8 m-85 -116.61 129.08 55.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.468 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.696 HD11 ' HB3' ' A' ' 50' ' ' ASN . 22.7 tp -62.3 147.38 48.35 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.0 HD21 HG12 ' A' ' 26' ' ' VAL . 95.7 mt -145.25 129.31 17.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -177.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.22 111.95 18.1 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.704 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.443 ' CG ' HH11 ' B' ' 9' ' ' MLY . 44.6 m95 -90.4 130.29 36.5 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.323 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.59 142.11 57.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.028 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.77 -41.46 2.56 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.808 -0.71 . . . . 0.0 111.959 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -68.69 136.44 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.678 0.275 . . . . 0.0 110.677 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.53 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 51.3 m -58.33 146.03 35.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -52.2 -40.57 61.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.19 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.67 -31.5 72.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.53 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -75.16 40.0 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.696 ' HB3' HD11 ' A' ' 39' ' ' LEU . 4.9 m120 -67.21 141.86 57.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.603 0.24 . . . . 0.0 110.431 178.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 98.1 m -140.86 128.07 20.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 111.408 -179.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.592 ' NE1' HD13 ' A' ' 39' ' ' LEU . 19.9 m95 -92.39 150.49 20.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.472 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.852 ' HG2' HD11 ' A' ' 58' ' ' LEU . 1.3 pm0 -151.4 146.1 18.61 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.397 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.884 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 31.0 Cg_endo -61.8 120.56 8.23 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.638 2.225 . . . . 0.0 111.911 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.61 ' HA ' ' HB2' ' A' ' 58' ' ' LEU . 38.4 tt0 -43.32 -29.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.84 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.884 ' HG2' ' HB2' ' A' ' 54' ' ' PRO . 16.1 pt-20 -46.3 -46.2 17.9 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.996 0.427 . . . . 0.0 110.202 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.605 HD22 ' HG2' ' A' ' 54' ' ' PRO . 76.0 m-20 -76.14 -37.21 58.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.84 178.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.852 HD11 ' HG2' ' A' ' 53' ' ' GLU . 6.6 mp -54.85 138.11 43.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.123 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -130.92 56.42 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.433 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.505 ' N ' ' HD3' ' A' ' 61' ' ' PRO . 26.7 p -145.46 56.59 3.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.229 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.505 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 49.9 Cg_exo -55.84 -34.77 92.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.519 2.146 . . . . 0.0 112.424 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.656 ' H ' HE22 ' B' ' 5' ' ' GLN . 34.5 t70 -56.89 -50.28 72.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HG ' ' OE1' ' B' ' 5' ' ' GLN . 30.8 mt -66.75 -41.01 88.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.941 0.4 . . . . 0.0 110.131 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 84.9 mt -54.03 -42.05 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.251 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.09 -42.42 99.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.371 179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -55.85 -42.08 75.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.763 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -67.33 -47.16 71.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.183 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 78.7 mt -61.56 -25.11 67.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.916 -179.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.584 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 3.4 mm100 -46.84 -43.17 18.32 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.627 0.251 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.9 m -57.17 -48.58 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.119 0.485 . . . . 0.0 109.932 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -78.3 -115.41 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.308 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.542 ' HE3' ' HB3' ' A' ' 68' ' ' LEU . 32.6 mmtp 57.89 -149.6 0.46 Allowed 'General case' 0 N--CA 1.461 0.077 0 CA-C-N 116.823 -0.172 . . . . 0.0 111.058 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.3 p -55.11 -46.44 75.55 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 121.072 0.463 . . . . 0.0 110.625 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.28 60.01 5.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.332 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -43.64 139.58 2.13 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.38 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 77' ' ' THR . 4.6 tp10 -169.84 -127.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.031 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.472 ' H ' ' HG3' ' A' ' 76' ' ' GLU . 86.4 m 64.4 129.06 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 121.065 0.46 . . . . 0.0 111.326 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -71.73 135.67 46.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.985 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt 58.17 55.53 5.09 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.1 m . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.893 -179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.421 0.153 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.539 ' HD2' ' H ' ' B' ' 2' ' ' ARG . 0.0 OUTLIER -55.75 -36.63 67.49 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.729 0.3 . . . . 0.0 110.883 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -78.46 47.09 0.68 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.586 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.184 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.089 179.771 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.656 HE22 ' H ' ' A' ' 62' ' ' ASP . 79.2 mt-30 54.5 -164.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.006 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.432 HG23 ' O ' ' B' ' 5' ' ' GLN . 18.6 p -158.84 -174.59 4.84 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.197 0.523 . . . . 0.0 111.573 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.516 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -174.19 115.54 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.62 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.761 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 19.2 ttm105 -64.98 130.21 42.53 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.863 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.443 HH11 ' CG ' ' A' ' 42' ' ' TRP . . . . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.225 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.504 ' OG ' ' HD2' ' A' ' 54' ' ' PRO . 50.3 m -62.94 122.1 15.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.43 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 90.7 m -162.53 -55.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.83 122.25 29.36 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.399 -0.905 . . . . 0.0 112.093 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 154.02 147.88 4.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -51.67 137.11 25.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.689 0.28 . . . . 0.0 110.799 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . -56.16 129.11 73.37 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.337 -179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 36.7 Cg_exo -60.42 134.32 54.39 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.573 2.182 . . . . 0.0 112.232 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 61.22 -133.61 48.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.512 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.711 0.291 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.96 -45.72 92.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.4 m -149.13 136.91 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.655 ' HG3' ' HG2' ' A' ' 12' ' ' GLU . 43.4 tp10 -171.79 141.01 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.786 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.655 ' HG2' ' HG3' ' A' ' 11' ' ' GLU . 61.4 mm-40 75.19 -48.99 0.64 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.387 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.2 m -66.3 129.63 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 110.946 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.761 HD12 ' HG2' ' A' ' 15' ' ' GLU . 1.1 pp -176.23 39.68 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.168 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.761 ' HG2' HD12 ' A' ' 14' ' ' LEU . 58.0 mm-40 -147.9 -143.0 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.727 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.492 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 11.2 pt-20 -173.66 48.25 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.967 0.413 . . . . 0.0 110.595 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -56.1 -47.1 78.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.094 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.799 ' HB2' ' HD3' ' B' ' 8' ' ' ARG . 10.9 pt-20 34.25 51.8 0.46 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.277 0.56 . . . . 0.0 111.934 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.1 tp10 -60.75 143.36 54.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.851 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -79.99 123.92 28.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.702 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.614 ' O ' HG23 ' A' ' 23' ' ' VAL . 2.8 m-85 -100.3 146.78 26.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.019 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.78 -44.85 78.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.78 -179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 21' ' ' TYR . 21.4 t 66.97 141.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.418 . . . . 0.0 111.615 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.698 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 14.6 tp10 -85.22 -61.11 1.85 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.952 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.579 ' HA ' HD23 ' A' ' 63' ' ' LEU . 27.1 tptp -179.19 139.86 0.15 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.215 0.531 . . . . 0.0 111.709 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG23 HD21 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -58.61 135.57 22.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.789 178.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.781 HD23 ' HG ' ' A' ' 39' ' ' LEU . 2.5 mm? -100.93 -36.45 9.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.259 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.537 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 18.1 t70 -172.33 -150.62 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.512 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.553 HH11 ' HG2' ' A' ' 29' ' ' ARG . 20.5 ptt-85 -168.58 142.69 3.19 Favored 'General case' 0 C--O 1.232 0.133 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.1 ptt180 -155.51 134.33 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.162 0.506 . . . . 0.0 112.195 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 35' ' ' LYS . 46.1 t -79.01 151.69 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.734 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.78 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -135.1 -26.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.901 0.382 . . . . 0.0 111.249 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.78 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.3 ptmt -163.12 53.85 0.18 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.203 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.09 -29.98 4.51 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.46 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.572 ' O ' HG13 ' A' ' 31' ' ' VAL . 0.1 OUTLIER -78.29 -151.82 0.05 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.005 0.431 . . . . 0.0 110.572 179.558 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' A' ' 55' ' ' GLU . 7.5 p -167.04 127.87 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.309 179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.544 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -114.3 129.68 56.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.538 ' O ' HD12 ' A' ' 40' ' ' LEU . 8.7 m-85 -102.14 138.77 38.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.479 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.937 HD11 ' HB3' ' A' ' 50' ' ' ASN . 22.1 tp -80.68 137.46 36.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.848 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.538 HD12 ' O ' ' A' ' 38' ' ' TYR . 4.5 mp -151.74 129.6 11.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 111.707 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.698 ' HB3' ' HB3' ' A' ' 24' ' ' GLU . 85.5 tttt -72.16 138.16 47.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.498 178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.542 ' HZ3' ' HB2' ' A' ' 21' ' ' TYR . 62.9 m95 -111.31 133.17 53.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.118 0.485 . . . . 0.0 111.53 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.04 143.42 55.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.24 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.4 -46.24 2.99 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.207 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.74 139.07 53.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.581 0.229 . . . . 0.0 110.638 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.415 ' OG ' ' HG2' ' A' ' 48' ' ' GLU . 46.7 t -52.01 146.22 8.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -52.17 -43.0 63.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG2' ' OG ' ' A' ' 46' ' ' SER . 24.6 pt-20 -61.5 -29.24 69.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.033 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -74.07 36.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.937 ' HB3' HD11 ' A' ' 39' ' ' LEU . 68.4 m-20 -69.48 141.89 53.87 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.704 0.287 . . . . 0.0 110.39 178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -135.49 126.86 28.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.913 0.387 . . . . 0.0 111.41 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.59 ' NE1' HD13 ' A' ' 39' ' ' LEU . 13.3 m95 -81.55 124.72 29.74 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.994 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 59.7 mm-40 -89.58 143.23 30.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.052 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 57' ' ' ASN . 6.4 Cg_exo -73.0 45.3 0.9 Allowed 'Trans proline' 0 CA--C 1.532 0.424 0 C-N-CA 123.152 2.568 . . . . 0.0 113.407 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.499 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 42.2 tt0 58.29 -73.73 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 54' ' ' PRO . 55.0 mt-10 -49.25 -38.68 27.57 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' O ' ' HB3' ' B' ' 8' ' ' ARG . 3.5 m120 -58.47 -58.42 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 3.3 pp -59.31 179.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 111.75 -179.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.814 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 35.0 t70 -156.98 44.75 0.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.253 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.871 ' HB3' HD13 ' A' ' 63' ' ' LEU . 75.2 m -120.72 69.88 17.32 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.949 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.81 -38.16 96.41 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.906 2.404 . . . . 0.0 112.385 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.681 ' HB3' HE21 ' B' ' 5' ' ' GLN . 38.6 t70 -62.6 -40.58 97.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 -179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.871 HD13 ' HB3' ' A' ' 60' ' ' CYS . 7.8 mp -68.47 -45.38 72.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.925 0.393 . . . . 0.0 110.659 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.425 HG23 ' CE2' ' A' ' 38' ' ' TYR . 79.4 mt -59.47 -42.11 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.425 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -70.18 -41.02 74.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.152 178.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.27 -38.03 79.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.048 179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.537 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 16.6 t80 -60.8 -48.99 79.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.363 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.94 -41.88 97.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.39 -179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 72.3 mt-30 -58.76 -39.54 81.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.918 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.8 t -57.22 -51.7 68.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.072 0.463 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.432 ' HA ' ' CD2' ' A' ' 75' ' ' HIS . 57.7 mt-30 -73.83 -110.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.146 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.603 ' HB3' ' NZ ' ' A' ' 72' ' ' LYS . 5.4 ttpm? 66.58 55.46 0.8 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.629 0.252 . . . . 0.0 110.564 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t 39.61 38.71 0.44 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.363 0.602 . . . . 0.0 110.785 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.49 54.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.159 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 71' ' ' GLN . 19.8 m170 -46.85 135.34 9.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.033 -179.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.17 134.21 56.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 74.9 p -60.88 137.33 58.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.312 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 79' ' ' LYS . 1.5 m-20 74.14 -52.53 0.69 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.581 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 78' ' ' ASP . 63.6 tttm 73.88 -40.78 0.47 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.397 0.436 . . . . 0.0 111.534 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.343 -0.837 . . . . 0.0 111.005 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.537 ' HB1' HG23 ' B' ' 3' ' ' THR . . . . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' B' ' 2' ' ' ARG . 75.7 ttt180 57.46 35.99 26.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.195 0.521 . . . . 0.0 110.428 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.537 HG23 ' HB1' ' B' ' 1' ' ' ALA . 73.7 p -83.48 -148.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.148 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.848 HH12 ' HG2' ' B' ' 4' ' ' MLY . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.738 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.681 HE21 ' HB3' ' A' ' 62' ' ' ASP . 73.9 mt-30 66.06 117.14 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.633 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.686 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 52.4 p -154.38 125.29 7.18 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.594 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.814 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -80.08 -131.6 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.799 ' HD3' ' HB2' ' A' ' 18' ' ' GLU . 39.8 ttm180 179.8 135.65 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.745 0.307 . . . . 0.0 110.74 179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.088 -179.715 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.5 m -77.5 52.84 1.0 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 48.1 p 52.76 50.2 18.61 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.35 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.26 137.46 0.57 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.97 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 62.43 -150.76 46.94 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.936 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -86.48 -50.0 7.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.76 0.314 . . . . 0.0 111.198 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . -172.28 143.75 1.33 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.975 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 24.0 Cg_exo -63.83 -141.96 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.02 135.52 46.12 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.458 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.443 -1.199 . . . . 0.0 112.545 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.3 m170 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.693 0.282 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.4 tpp 64.08 137.1 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.48 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.1 m -61.24 144.47 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.252 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -139.17 -44.93 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -60.4 138.94 57.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.809 HG12 HD23 ' A' ' 14' ' ' LEU . 41.6 t 65.5 121.73 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.973 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.809 HD23 HG12 ' A' ' 13' ' ' VAL . 4.5 mm? 61.45 118.92 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.36 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HG3' HG21 ' B' ' 11' ' ' THR . 23.1 pt-20 -179.6 37.85 0.0 OUTLIER 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.773 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 62.8 123.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.452 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' CD ' ' H ' ' A' ' 17' ' ' GLU . 0.4 OUTLIER -79.97 133.45 36.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.713 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.902 ' HG2' ' HB ' ' B' ' 11' ' ' THR . 4.7 mm-40 -74.96 131.59 40.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.908 0.385 . . . . 0.0 111.593 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.579 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 89.1 tt0 -75.49 146.95 40.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.393 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.544 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 8.7 mp0 -68.27 76.53 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.085 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.466 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 3.6 m-85 -61.23 135.3 57.69 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.003 0.43 . . . . 0.0 111.192 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.659 ' HA ' HG22 ' B' ' 6' ' ' THR . 21.4 t -67.45 137.47 24.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.33 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.616 HG21 HD22 ' A' ' 40' ' ' LEU . 6.8 p -129.07 134.57 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.552 179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.604 ' HG2' ' HG3' ' A' ' 25' ' ' LYS . 44.1 tt0 -67.25 -69.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.508 0.558 . . . . 0.0 112.508 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.657 ' HA ' HD22 ' A' ' 63' ' ' LEU . 67.3 mttm -154.05 143.7 21.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 121.167 0.508 . . . . 0.0 111.949 -178.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.738 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -60.01 131.85 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.564 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.798 HD12 ' HG ' ' A' ' 39' ' ' LEU . 94.6 mt -92.94 -43.02 9.15 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 67' ' ' PHE . 41.4 m-20 -164.46 -153.55 0.21 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.959 0.409 . . . . 0.0 112.014 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 40.1 ptt180 -168.93 139.06 2.29 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.635 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.565 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.89 129.18 8.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.078 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 36' ' ' VAL . 41.3 t -89.12 140.8 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.082 0.468 . . . . 0.0 110.983 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.775 HG22 ' HG3' ' A' ' 33' ' ' LYS . 7.4 p -153.99 131.96 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.882 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.775 ' HG3' HG22 ' A' ' 32' ' ' VAL . 57.2 mttp 75.62 -37.31 0.32 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.625 -178.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 32' ' ' VAL . . . 154.23 -21.65 0.66 Allowed Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.698 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.897 ' HD2' ' H ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -100.94 139.37 36.73 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 121.042 0.448 . . . . 0.0 111.758 -179.071 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.66 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 2.8 t -80.8 141.52 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.401 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 11.6 pt-20 -139.08 127.18 22.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.106 0.479 . . . . 0.0 110.83 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.445 ' CD2' ' HB3' ' A' ' 29' ' ' ARG . 6.5 m-85 -105.34 129.5 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.63 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.798 ' HG ' HD12 ' A' ' 27' ' ' LEU . 27.0 tp -64.88 143.68 57.78 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.738 HD23 ' HA ' ' A' ' 26' ' ' VAL . 74.3 mt -142.77 131.57 22.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.094 0.473 . . . . 0.0 112.184 -178.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 28.4 tptp -83.05 72.35 10.1 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.266 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.527 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 48.8 m95 -58.16 138.01 56.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.776 0.322 . . . . 0.0 110.824 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -58.86 143.86 46.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.328 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.03 -39.84 2.07 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.567 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -78.99 131.07 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.349 . . . . 0.0 111.109 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.7 m -70.17 -166.37 0.12 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.445 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.673 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 8.2 t70 -67.42 -50.36 59.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.072 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -40.36 94.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -56.63 -36.79 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.405 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.673 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 76.9 m-20 -52.03 136.13 29.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.018 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.8 t -128.33 131.68 48.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.445 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.647 ' NE1' HD13 ' A' ' 39' ' ' LEU . 8.8 m95 -66.66 101.83 0.84 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.944 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.619 ' HB3' HD21 ' A' ' 58' ' ' LEU . 88.4 tt0 -88.13 137.63 31.12 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.189 -179.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.861 ' HG2' HD22 ' A' ' 57' ' ' ASN . 9.6 Cg_endo -53.23 133.68 53.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.422 2.082 . . . . 0.0 111.768 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.9 tt0 -52.79 -30.37 32.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.578 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -57.21 -52.22 66.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.839 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.861 HD22 ' HG2' ' A' ' 54' ' ' PRO . 79.1 m-20 -70.66 -31.29 68.16 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.731 ' HA ' ' HB1' ' B' ' 7' ' ' ALA . 17.3 mt -50.23 140.27 13.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.056 0.455 . . . . 0.0 111.453 -179.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.498 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 29.2 m-20 -127.92 41.11 3.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.19 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.747 ' SG ' HD11 ' A' ' 63' ' ' LEU . 8.9 p -144.02 59.76 7.37 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.224 -178.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -60.93 -9.18 11.27 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.364 2.042 . . . . 0.0 112.053 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.444 ' O ' ' HG2' ' A' ' 66' ' ' GLU . 35.0 t70 -65.79 -64.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.547 -179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.747 HD11 ' SG ' ' A' ' 60' ' ' CYS . 0.5 OUTLIER -68.42 -32.83 73.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.168 179.709 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.683 ' H ' HD12 ' A' ' 63' ' ' LEU . 77.4 mt -58.77 -41.8 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 177.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.42 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 62' ' ' ASP . 71.8 mm-40 -56.9 -31.78 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.677 179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 49.1 t80 -69.64 -51.97 30.04 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.71 -0.677 . . . . 0.0 112.031 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.648 ' N ' HD12 ' A' ' 68' ' ' LEU . 3.3 mp -78.23 -48.15 16.43 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 7.7 tt0 -46.5 -42.73 16.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.635 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -64.47 -42.86 95.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.187 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -84.26 35.65 0.55 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.115 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.601 ' HG3' ' H ' ' A' ' 73' ' ' THR . 44.4 tptt -70.68 -136.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.1 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.601 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 5.4 t -61.23 -39.77 91.51 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.12 38.69 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.474 178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' ND1' ' N ' ' A' ' 76' ' ' GLU . 10.6 p80 -54.81 -42.23 71.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.455 ' N ' ' ND1' ' A' ' 75' ' ' HIS . 89.3 tt0 -89.62 131.15 35.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.052 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 78' ' ' ASP . 6.2 m 53.37 -126.59 2.41 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.738 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.452 ' N ' HG22 ' A' ' 77' ' ' THR . 2.6 p30 -174.14 37.5 0.01 OUTLIER 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.756 0.313 . . . . 0.0 110.801 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt 63.71 133.66 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.25 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.797 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.874 0.368 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 34.3 tpt85 -59.73 -45.69 91.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.695 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 61.5 m 63.97 133.76 0.02 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.292 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.611 HH23 HG21 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 23' ' ' VAL . 3.2 mm100 -63.25 133.7 54.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.239 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.659 HG22 ' HA ' ' A' ' 22' ' ' VAL . 27.5 p -155.78 154.05 30.79 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.613 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 58' ' ' LEU . . . -155.67 38.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.68 0.276 . . . . 0.0 111.102 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.579 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 89.7 mtm-85 44.81 -130.58 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.329 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.401 ' HD2' ' CD2' ' A' ' 21' ' ' TYR . . . . . . . . 0 C--O 1.232 0.141 0 N-CA-C 111.455 0.168 . . . . 0.0 111.455 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 79.8 p -174.73 -58.67 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.902 ' HB ' ' HG2' ' A' ' 18' ' ' GLU . 63.8 m -65.64 -72.11 0.17 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.458 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.493 ' H ' ' H ' ' A' ' 18' ' ' GLU . . . 67.24 148.71 0.12 Allowed Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.698 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -161.45 -136.07 1.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.628 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.525 ' N ' ' HD2' ' B' ' 14' ' ' LYS . 12.2 mptt -63.43 130.42 44.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 111.07 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.585 ' HB3' ' HD3' ' B' ' 16' ' ' PRO . . . -68.61 -48.86 31.57 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.651 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.585 ' HD3' ' HB3' ' B' ' 15' ' ' ALA . 50.7 Cg_exo -54.33 134.64 62.03 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 122.279 1.986 . . . . 0.0 112.277 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 63.29 -132.32 42.11 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.312 -1.271 . . . . 0.0 112.427 179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.799 0.333 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.7 mtt 54.84 42.48 31.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.4 t -61.68 136.15 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -127.86 -154.66 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.766 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -82.97 130.36 35.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.0 m -66.53 135.45 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.222 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.544 HD13 ' N ' ' A' ' 15' ' ' GLU . 0.9 OUTLIER -66.02 126.71 29.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.183 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' N ' HD13 ' A' ' 14' ' ' LEU . 39.9 tt0 -92.52 57.45 2.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.455 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 77.4 tt0 -172.16 -124.99 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.596 179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' O ' HG21 ' B' ' 11' ' ' THR . 5.2 tp10 -172.12 59.44 0.03 OUTLIER 'General case' 0 CA--C 1.528 0.12 0 CA-C-O 120.876 0.37 . . . . 0.0 110.797 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.444 ' HA ' ' OG1' ' B' ' 11' ' ' THR . 91.8 mt-10 -76.99 49.04 0.63 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.385 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.82 132.58 48.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.279 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -90.81 89.5 7.51 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.9 m-85 -62.46 133.66 55.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.136 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.88 ' HA ' HG22 ' B' ' 6' ' ' THR . 56.7 t -57.84 -47.28 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' TYR . 21.3 t 65.72 133.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.187 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.0 tp10 -73.87 -55.97 5.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.42 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt 179.64 136.75 0.11 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.106 0.479 . . . . 0.0 111.228 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.604 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -57.5 130.48 20.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.131 179.145 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.818 HD21 ' HB2' ' A' ' 41' ' ' LYS . 2.7 mm? -86.87 -71.43 0.55 Allowed 'General case' 0 C--O 1.232 0.182 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -178.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.971 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 1.5 m-20 -124.96 143.88 50.66 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB2' ' HE2' ' A' ' 67' ' ' PHE . 78.4 ttt180 -97.76 146.86 24.96 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.051 178.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 45.2 ttt85 -154.31 160.82 41.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.077 0.465 . . . . 0.0 111.652 -178.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 36' ' ' VAL . 19.1 t -150.38 131.2 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.977 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 33' ' ' LYS . 19.6 m -98.63 -129.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.654 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' N ' HG23 ' A' ' 32' ' ' VAL . 24.3 pttm -52.2 -21.75 3.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.654 0.264 . . . . 0.0 111.271 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.47 -26.97 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.141 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' O ' HG13 ' A' ' 31' ' ' VAL . 58.9 mtpt -60.39 159.38 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.051 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.678 ' HA ' HG22 ' A' ' 31' ' ' VAL . 3.3 t -122.46 89.7 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.729 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.631 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.3 pt-20 -88.62 130.69 35.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.099 0.476 . . . . 0.0 111.554 -179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 43.0 m-85 -114.44 130.68 56.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.669 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.971 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 11.6 tp -74.88 141.85 44.14 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.4 178.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 26' ' ' VAL . 67.5 mt -139.88 135.63 33.09 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.818 ' HB2' HD21 ' A' ' 27' ' ' LEU . 28.0 tptp -89.22 73.22 8.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.935 178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.562 ' NE1' ' HB ' ' A' ' 51' ' ' THR . 29.0 m95 -52.93 129.92 31.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.355 -178.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.585 ' O ' ' HD3' ' A' ' 43' ' ' LYS . 0.1 OUTLIER -66.82 150.66 48.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.611 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.19 -49.66 3.58 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.686 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' HH12 ' B' ' 9' ' ' MLY . 2.4 m-85 -68.47 140.65 55.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.775 0.322 . . . . 0.0 110.801 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.6 m -53.17 151.12 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.545 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 10.9 m-20 -52.05 -38.54 57.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.86 -29.28 70.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.582 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -73.47 42.34 0.12 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.803 ' HB3' HD11 ' A' ' 39' ' ' LEU . 5.7 m120 -68.55 142.78 55.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.572 0.225 . . . . 0.0 110.48 178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.562 ' HB ' ' NE1' ' A' ' 42' ' ' TRP . 66.9 m -143.19 129.06 19.45 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.177 0.513 . . . . 0.0 111.529 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.582 ' NE1' HD13 ' A' ' 39' ' ' LEU . 13.1 m95 -93.71 138.71 31.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.032 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 58' ' ' LEU . 58.1 mm-40 -119.09 143.92 34.97 Favored Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 116.563 -0.289 . . . . 0.0 110.913 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.532 ' HD2' HD22 ' A' ' 57' ' ' ASN . 47.7 Cg_endo -67.11 26.9 0.11 Allowed 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 122.822 2.348 . . . . 0.0 114.7 -178.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.547 ' CA ' HD23 ' A' ' 58' ' ' LEU . 34.6 tt0 68.72 -42.05 0.47 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -57.82 -44.54 86.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.779 0.323 . . . . 0.0 111.563 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.532 HD22 ' HD2' ' A' ' 54' ' ' PRO . 75.8 m-80 -65.89 -27.03 67.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.389 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -54.14 108.07 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 -179.196 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.585 ' HB3' ' O ' ' B' ' 6' ' ' THR . 9.1 t70 -85.49 -22.86 28.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.307 0.575 . . . . 0.0 109.498 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.635 ' SG ' HD12 ' A' ' 63' ' ' LEU . 11.5 p -93.42 102.76 8.1 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 59' ' ' ASP . 82.1 Cg_endo -78.8 -33.78 1.51 Allowed 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 122.182 1.921 . . . . 0.0 112.045 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -54.71 -42.66 71.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.948 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.635 HD12 ' SG ' ' A' ' 60' ' ' CYS . 41.5 mt -59.68 -51.47 69.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.625 0.25 . . . . 0.0 111.401 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.568 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 77.2 mt -52.22 -46.9 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.632 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.624 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -64.93 -41.09 95.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.579 179.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -54.85 -46.8 74.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.25 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.428 ' HE2' ' HB2' ' A' ' 29' ' ' ARG . 15.8 t80 -65.64 -45.23 83.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.58 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 79.7 mt -63.13 -26.96 69.06 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.2 mm-40 -48.83 -43.32 38.41 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.56 0.219 . . . . 0.0 111.455 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 p -57.18 -43.96 83.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.923 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -67.99 -58.55 4.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.916 0.389 . . . . 0.0 110.613 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.618 ' HG3' ' H ' ' A' ' 73' ' ' THR . 25.0 tptp 51.48 -134.42 1.62 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.45 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.618 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 88.1 m -71.53 -51.65 22.41 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.6 51.0 1.59 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.177 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -55.65 131.59 46.84 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.759 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -67.83 132.92 48.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.987 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.5 t -175.55 40.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.955 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 56.93 44.41 23.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.748 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -171.22 135.13 0.95 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.888 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.946 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.726 0.298 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.9 ttt85 -174.51 -45.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 82.8 p -70.01 -140.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.532 ' O ' HG23 ' B' ' 6' ' ' THR . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.047 0.451 . . . . 0.0 110.893 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.563 ' C ' ' HB3' ' A' ' 60' ' ' CYS . 76.7 mt-30 58.03 -114.54 0.78 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.034 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.88 HG22 ' HA ' ' A' ' 22' ' ' VAL . 29.1 p 63.43 129.72 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.047 0.539 . . . . 0.0 112.372 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 60' ' ' CYS . . . -100.18 -132.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 178.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.488 ' HD3' ' OG1' ' B' ' 11' ' ' THR . 31.8 ttm180 -178.4 139.89 0.2 Allowed 'General case' 0 CA--C 1.529 0.151 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 179.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.417 HH12 ' CD2' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.178 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.473 ' HA ' ' CG ' ' A' ' 57' ' ' ASN . 48.3 t 53.39 42.37 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.872 0.367 . . . . 0.0 111.032 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.488 ' OG1' ' HD3' ' B' ' 8' ' ' ARG . 81.0 p -68.95 -135.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.416 ' H ' ' HG2' ' A' ' 18' ' ' GLU . . . -60.14 -54.3 38.5 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.492 -0.861 . . . . 0.0 112.399 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 75.79 -44.35 1.77 Allowed Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.076 -0.583 . . . . 0.0 112.966 179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -62.76 133.06 54.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.675 0.274 . . . . 0.0 111.065 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.56 133.76 0.04 OUTLIER Pre-proline 0 CA--C 1.529 0.163 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.566 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.461 ' HB2' ' H ' ' B' ' 17' ' ' GLY . 56.6 Cg_endo -69.34 -139.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.459 2.106 . . . . 0.0 112.138 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.461 ' H ' ' HB2' ' B' ' 16' ' ' PRO . . . -69.45 -134.35 0.07 OUTLIER Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.582 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.425 -1.208 . . . . 0.0 112.583 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.0 m170 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.594 0.235 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.782 ' HG3' HG23 ' A' ' 10' ' ' VAL . 15.6 tpt 65.56 143.41 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.318 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.782 HG23 ' HG3' ' A' ' 9' ' ' MET . 59.2 t 74.13 -32.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.527 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 9' ' ' MET . 49.7 mt-10 66.99 137.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.015 0.436 . . . . 0.0 111.188 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -58.28 136.25 57.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.371 -179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.31 143.93 13.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.999 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.04 37.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.586 -179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -74.67 -49.94 19.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.625 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -75.8 135.41 40.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.992 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.594 ' O ' ' HD2' ' B' ' 9' ' ' MLY . 49.0 mt-10 -61.75 136.42 57.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.133 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.602 ' O ' ' HG2' ' A' ' 19' ' ' GLU . 56.6 mt-10 -65.15 -111.37 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.255 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 18' ' ' GLU . 14.8 pt-20 50.3 142.98 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -70.54 131.42 43.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.839 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 23' ' ' VAL . 4.1 m-85 -101.93 144.19 30.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.222 178.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.786 HG22 HH22 ' B' ' 4' ' ' MLY . 46.3 t -54.69 -46.54 73.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.554 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 21' ' ' TYR . 17.4 t 64.48 127.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.368 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -79.22 -48.67 13.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -178.94 138.2 0.15 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.487 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.856 ' HA ' HD23 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -63.49 130.73 28.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.749 ' HB2' ' HG ' ' A' ' 39' ' ' LEU . 96.2 mt -79.95 -61.43 1.99 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.641 -179.111 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.98 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 75.9 m-20 -133.85 -159.17 0.94 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.416 ' H ' ' HB3' ' A' ' 28' ' ' ASP . 33.4 ttp180 -163.89 127.2 2.61 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.213 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HG2' ' CZ3' ' A' ' 52' ' ' TRP . 38.2 ptt85 -157.02 137.39 12.93 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 35' ' ' LYS . 59.8 t -85.4 140.49 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.049 178.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.7 HG23 ' HG2' ' A' ' 33' ' ' LYS . 27.7 m -93.97 -41.98 12.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.931 0.396 . . . . 0.0 111.748 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.7 ' HG2' HG23 ' A' ' 32' ' ' VAL . 22.7 pttm -171.91 61.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.561 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.2 -22.81 27.61 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.611 ' HB2' HG22 ' A' ' 32' ' ' VAL . 14.2 mmmm -73.04 -151.25 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.149 0.5 . . . . 0.0 110.345 179.305 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 10.5 p -172.45 136.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.126 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -152.11 131.48 12.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.365 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.461 ' HB2' HD11 ' A' ' 58' ' ' LEU . 7.4 m-85 -106.48 130.32 54.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.143 0.497 . . . . 0.0 112.206 -179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.98 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 16.6 tp -65.32 139.75 58.62 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 177.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.856 HD23 ' HA ' ' A' ' 26' ' ' VAL . 29.7 mt -142.22 133.41 26.17 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 41' ' ' LYS . 7.7 tmtm? -81.72 86.03 6.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.524 179.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.427 ' HH2' ' OE1' ' A' ' 53' ' ' GLU . 73.3 m95 -61.96 130.14 44.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.443 -178.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -66.22 142.45 57.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.308 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.4 -42.74 2.21 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.956 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.486 ' CE2' HH12 ' B' ' 9' ' ' MLY . 1.9 m-85 -73.79 131.67 41.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 57.9 m -59.7 157.02 12.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.681 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -50.54 -29.84 11.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.928 0.394 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.466 ' HG3' ' OD1' ' A' ' 49' ' ' ASP . 15.4 pt-20 -67.49 -40.61 85.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.223 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' OD1' ' HG3' ' A' ' 48' ' ' GLU . 37.2 m-20 -77.05 33.25 0.15 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -90.2 141.13 29.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.714 0.292 . . . . 0.0 110.752 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.7 t -144.62 132.89 21.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.082 0.467 . . . . 0.0 111.14 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.545 ' NE1' HD13 ' A' ' 39' ' ' LEU . 11.1 m95 -72.9 111.13 7.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.726 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.534 ' HB3' HD21 ' A' ' 58' ' ' LEU . 86.3 tt0 -94.54 136.34 23.29 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.746 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.864 ' HG2' HD22 ' A' ' 57' ' ' ASN . 10.9 Cg_endo -54.73 133.99 60.24 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.364 2.043 . . . . 0.0 111.807 179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 44.1 tt0 -55.42 -33.07 63.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.346 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -50.48 -49.71 54.58 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.031 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.864 HD22 ' HG2' ' A' ' 54' ' ' PRO . 77.4 m-20 -73.49 -33.9 65.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.02 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 53' ' ' GLU . 24.6 mt -53.6 134.56 41.23 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.992 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -121.92 39.22 3.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.133 0.492 . . . . 0.0 110.247 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.82 ' HB2' HD13 ' A' ' 63' ' ' LEU . 25.0 p -131.49 59.96 49.02 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.347 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 52.8 Cg_exo -54.48 -35.88 86.6 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.473 2.115 . . . . 0.0 112.032 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 65.6 t0 -58.62 -50.86 72.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.719 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.82 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.5 mp -63.91 -43.59 95.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.603 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 74.8 mt -55.14 -42.16 63.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.416 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.536 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.29 -41.99 96.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.604 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 56.5 mt-10 -57.11 -43.39 82.23 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.016 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.5 t80 -65.62 -44.22 87.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.057 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.2 mt -64.08 -23.12 67.21 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 0.0 112.211 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 85.0 mt-30 -51.06 -45.87 61.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 110.566 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -85.89 34.99 0.61 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.82 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -146.37 -31.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.76 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HE2' ' HB3' ' A' ' 68' ' ' LEU . 75.1 mmtt -52.07 116.2 2.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.382 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 90.5 m 73.74 -44.68 0.58 Allowed 'General case' 0 CA--C 1.529 0.161 0 O-C-N 123.688 0.617 . . . . 0.0 110.804 -179.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -179.92 -47.06 0.01 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.699 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.478 ' HD2' HG22 ' A' ' 77' ' ' THR . 79.3 t60 -177.4 -32.63 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.096 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 66.95 55.4 0.72 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.478 HG22 ' HD2' ' A' ' 75' ' ' HIS . 66.8 p -52.48 -39.63 61.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.327 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -165.34 -44.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.703 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.614 ' HB2' ' NZ ' ' A' ' 79' ' ' LYS . 10.1 mtmp? -69.38 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.0 p . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.143 -0.932 . . . . 0.0 110.842 179.917 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.802 0.334 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' B' ' 2' ' ' ARG . 23.5 ptt-85 -173.41 131.53 0.46 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 80.8 p -82.32 45.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.786 HH22 HG22 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 121.131 0.491 . . . . 0.0 110.4 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.746 HE21 ' HA ' ' A' ' 60' ' ' CYS . 2.9 mm100 57.92 -93.37 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.611 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.535 HG23 ' O ' ' B' ' 4' ' ' MLY . 69.3 p 53.5 -154.32 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.196 0.522 . . . . 0.0 112.247 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.56 -119.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.294 -0.866 . . . . 0.0 108.986 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.553 ' NE ' ' HB3' ' A' ' 18' ' ' GLU . 26.5 ttt85 -178.59 -138.85 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.594 ' HD2' ' O ' ' A' ' 17' ' ' GLU . . . . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 120.815 0.34 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.9 t 58.66 36.09 24.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.58 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 82.8 p 45.49 53.78 8.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.823 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . 0.454 ' N ' ' HG2' ' A' ' 18' ' ' GLU . . . -77.01 52.36 3.29 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.768 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -170.38 -117.64 0.43 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.438 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.55 ' HB2' ' NZ ' ' B' ' 14' ' ' LYS . 4.3 ttmp? 65.98 -129.01 0.25 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.465 ' H ' ' HG2' ' B' ' 14' ' ' LYS . . . 55.77 59.61 9.37 Favored Pre-proline 0 CA--C 1.529 0.166 0 CA-C-O 120.611 0.244 . . . . 0.0 111.197 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.464 ' HD3' ' HG2' ' B' ' 14' ' ' LYS . 21.1 Cg_endo -60.57 132.19 41.9 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.421 2.081 . . . . 0.0 112.318 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 175.62 -44.51 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.449 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.471 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.078 0.466 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.413 ' N ' ' SD ' ' A' ' 9' ' ' MET . 1.6 mpt? -63.18 134.63 56.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.018 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.672 HG23 ' HG2' ' A' ' 12' ' ' GLU . 26.9 m -63.78 142.14 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' ' HB2' ' A' ' 12' ' ' GLU . 62.5 mm-40 -56.52 -41.87 77.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.383 -179.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.672 ' HG2' HG23 ' A' ' 10' ' ' VAL . 51.5 mm-40 73.93 -36.26 0.33 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.696 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -77.64 38.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.75 0.31 . . . . 0.0 111.707 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.2 tp -177.98 123.91 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.758 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.777 ' HG2' ' H ' ' A' ' 17' ' ' GLU . 43.9 tt0 178.79 129.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.524 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.61 11.34 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.309 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.777 ' H ' ' HG2' ' A' ' 15' ' ' GLU . 16.7 pt-20 38.83 -146.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.463 0.477 . . . . 0.0 111.426 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' N ' ' OE1' ' A' ' 18' ' ' GLU . 0.7 OUTLIER -69.21 146.02 52.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.512 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 38.8 tt0 -143.62 142.35 31.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.049 0.452 . . . . 0.0 111.652 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.543 ' HG3' ' HE ' ' B' ' 8' ' ' ARG . 49.5 mt-10 -78.52 131.32 36.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.07 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' HE1' ' HB3' ' A' ' 19' ' ' GLU . 6.6 m-85 -121.09 134.45 55.26 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.159 0.504 . . . . 0.0 110.731 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.624 ' HB ' ' HE3' ' A' ' 43' ' ' LYS . 0.2 OUTLIER -55.38 138.52 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.247 -179.402 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.821 HG21 HD22 ' A' ' 40' ' ' LEU . 8.3 p -134.66 138.04 50.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.053 0.454 . . . . 0.0 111.439 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -74.08 -56.77 4.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.424 -178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.964 ' HA ' HD23 ' A' ' 63' ' ' LEU . 88.1 tttt -175.2 146.79 0.86 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.778 ' HA ' HD23 ' A' ' 40' ' ' LEU . 23.8 m -65.49 136.03 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 120.907 0.384 . . . . 0.0 110.915 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 2.9 mm? -90.46 -19.32 24.02 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.327 178.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 19.0 t70 -179.64 -150.96 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 120.481 -0.487 . . . . 0.0 111.609 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.509 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 39.6 ptt180 -168.6 138.02 2.32 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.4 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.632 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 16.7 ptm180 -155.57 133.34 11.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.086 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -84.66 129.99 36.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.994 0.426 . . . . 0.0 111.597 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 35' ' ' LYS . 14.5 m -89.99 -124.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.615 178.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' N ' HG23 ' A' ' 32' ' ' VAL . 18.4 ptpt -54.02 -24.39 16.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.139 0.495 . . . . 0.0 109.962 178.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.02 -25.97 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.463 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 32' ' ' VAL . 95.2 mttt -83.75 139.3 32.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.498 -0.351 . . . . 0.0 111.41 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.664 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 14.4 p -85.9 133.93 28.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.6 pt-20 -123.26 128.93 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.914 0.388 . . . . 0.0 110.776 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.416 ' CE2' ' HB3' ' A' ' 29' ' ' ARG . 9.9 m-85 -102.29 123.8 46.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.25 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.969 HD11 ' HB3' ' A' ' 50' ' ' ASN . 16.1 tp -57.79 147.01 29.53 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.821 HD22 HG21 ' A' ' 23' ' ' VAL . 97.4 mt -147.01 128.91 15.38 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -84.89 103.86 14.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.529 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.795 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 68.2 m95 -82.23 130.11 35.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 111.953 -178.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.624 ' HE3' ' HB ' ' A' ' 22' ' ' VAL . 10.3 mtmp? -65.07 146.45 54.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.285 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.57 -50.27 3.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 121.108 -0.568 . . . . 0.0 112.272 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.426 ' CE2' HH23 ' B' ' 9' ' ' MLY . 1.9 m-85 -68.83 140.47 55.23 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.513 ' HB2' ' OD1' ' A' ' 49' ' ' ASP . 54.7 m -49.76 138.17 14.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.609 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.68 -40.05 65.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.036 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -56.89 -32.64 66.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.887 179.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.513 ' OD1' ' HB2' ' A' ' 46' ' ' SER . 1.3 m-20 -74.83 37.49 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.969 ' HB3' HD11 ' A' ' 39' ' ' LEU . 65.5 m-20 -67.67 143.25 56.06 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 178.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.9 m -141.23 125.11 17.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.69 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.684 ' NE1' HD13 ' A' ' 39' ' ' LEU . 7.7 m95 -80.38 147.83 30.87 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.288 179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.676 ' HB2' HD21 ' A' ' 58' ' ' LEU . 72.9 mm-40 -142.67 143.97 28.21 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.134 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.898 ' HG2' HD22 ' A' ' 57' ' ' ASN . 9.5 Cg_endo -52.91 132.21 46.04 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.567 2.178 . . . . 0.0 111.798 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.476 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 10.5 pt-20 -55.62 -34.41 64.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.325 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -52.75 -51.74 59.31 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.687 0.279 . . . . 0.0 111.199 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.898 HD22 ' HG2' ' A' ' 54' ' ' PRO . 80.4 m-20 -70.27 -34.89 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.665 -179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 53' ' ' GLU . 14.5 mt -51.42 120.51 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.032 0.444 . . . . 0.0 111.627 -178.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.52 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.9 t70 -100.09 48.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.764 179.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.025 ' HB2' HD13 ' A' ' 63' ' ' LEU . 26.4 p -150.22 60.98 4.59 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.329 -179.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 60' ' ' CYS . 53.0 Cg_exo -54.46 -33.37 77.37 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.433 2.089 . . . . 0.0 112.025 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.515 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 8.8 t70 -55.98 -43.62 77.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.994 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 1.025 HD13 ' HB2' ' A' ' 60' ' ' CYS . 6.7 mp -65.89 -41.06 92.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 120.939 0.4 . . . . 0.0 110.215 179.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.571 ' O ' HD13 ' A' ' 68' ' ' LEU . 45.9 mm -56.38 -45.42 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.892 179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.63 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -63.73 -44.55 93.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.525 179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 97.4 mt-10 -51.42 -41.16 60.57 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.746 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.565 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 36.3 t80 -60.16 -57.53 12.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.278 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.571 HD13 ' O ' ' A' ' 64' ' ' ILE . 6.4 mp -60.61 -25.76 66.49 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.63 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 12.2 mm100 -50.19 -49.53 52.22 Favored 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.7 p -65.16 -39.37 92.85 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.549 ' HA ' ' HA ' ' A' ' 75' ' ' HIS . 9.2 mm-40 -71.23 -116.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.617 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.613 ' HG3' ' H ' ' A' ' 73' ' ' THR . 19.7 tptm 58.59 -138.76 0.8 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.613 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 67.9 p -69.31 -43.31 74.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.044 0.449 . . . . 0.0 110.454 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.68 47.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.945 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 71' ' ' GLN . 16.5 p-80 -66.5 -136.94 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.959 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -132.18 42.1 3.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.863 0.363 . . . . 0.0 111.056 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 78' ' ' ASP . 6.4 m 52.95 -123.26 2.16 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.715 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 77' ' ' THR . 30.9 m-20 56.89 45.78 20.82 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.751 0.31 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -61.97 136.33 57.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.042 -179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.263 0 CA-C-O 120.474 0.178 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' B' ' 2' ' ' ARG . 52.2 ttp85 -172.98 49.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.184 0.516 . . . . 0.0 110.293 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 84.9 m -163.35 134.04 4.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.58 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.406 ' HD2' HH23 ' B' ' 4' ' ' MLY . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.545 ' HG2' ' CD1' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -61.0 138.09 58.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.428 -179.572 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 22' ' ' VAL . 52.5 p -150.83 128.1 11.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.21 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.795 ' HB3' ' HH2' ' A' ' 42' ' ' TRP . . . -117.56 123.78 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.188 179.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.543 ' HE ' ' HG3' ' A' ' 20' ' ' GLU . 99.6 mtt180 -66.54 143.95 56.74 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.041 -178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.52 HH11 ' CG ' ' A' ' 42' ' ' TRP . . . . . . . . 0 C--N 1.333 -0.14 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.789 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . 0.444 ' HB2' ' OE1' ' A' ' 53' ' ' GLU . 34.1 t 62.79 -128.37 0.58 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.377 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.562 HG22 ' H ' ' B' ' 13' ' ' GLY . 75.5 m -60.07 139.28 57.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.845 0.355 . . . . 0.0 111.17 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.01 -37.29 91.36 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.764 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.562 ' H ' HG22 ' B' ' 11' ' ' THR . . . -162.66 140.87 6.79 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.698 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -169.9 -37.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.686 0.279 . . . . 0.0 110.604 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 67.22 136.87 0.05 OUTLIER Pre-proline 0 C--N 1.333 -0.15 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.456 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -64.02 -44.39 12.88 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.667 2.245 . . . . 0.0 112.428 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.53 -41.87 2.15 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.737 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.584 -179.889 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.9 m80 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.81 0.338 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.1 ptm -174.17 35.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.823 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.35 134.74 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.959 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.46 131.99 52.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -64.24 -44.4 91.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -147.09 132.11 11.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.206 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.0 134.34 44.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -174.34 133.22 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.046 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -56.09 -60.2 3.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.924 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 63.68 128.02 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.45 . . . . 0.0 111.181 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' CB ' ' HB3' ' B' ' 8' ' ' ARG . 56.7 mp0 -81.54 -144.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.77 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -160.68 134.77 7.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.757 0.313 . . . . 0.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' B' ' 7' ' ' ALA . 38.3 mt-10 -68.82 132.78 47.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.986 0.422 . . . . 0.0 111.367 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -129.88 130.03 44.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.393 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.534 HG11 HH13 ' B' ' 4' ' ' MLY . 61.5 t -52.95 118.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.833 0.349 . . . . 0.0 110.773 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' HB ' ' CZ3' ' A' ' 42' ' ' TRP . 7.1 p -119.9 135.11 61.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.242 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -70.82 -54.2 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.955 -179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -177.55 150.35 0.68 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.323 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.924 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -69.09 137.04 25.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.185 179.283 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 97.3 mt -92.84 -45.65 7.9 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.466 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.691 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 29.5 t0 -151.3 -160.83 1.22 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.15 -0.62 . . . . 0.0 111.546 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.482 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 40.3 ptt85 -168.79 135.77 1.89 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.305 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 40.1 ptt85 -156.2 134.58 11.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.041 0.448 . . . . 0.0 111.644 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.9 t -75.05 147.14 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.029 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.77 HG23 ' HG2' ' A' ' 33' ' ' LYS . 26.9 m -127.72 -33.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.982 0.42 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HG2' HG23 ' A' ' 32' ' ' VAL . 21.5 ptmt -164.18 51.57 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.884 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.04 -31.9 5.98 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.634 -179.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -85.88 144.78 27.49 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.909 0.385 . . . . 0.0 111.015 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 t -107.24 105.65 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.235 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 52' ' ' TRP . 22.7 pt-20 -89.48 129.4 35.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.611 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.473 ' HB2' HD11 ' A' ' 58' ' ' LEU . 5.8 m-85 -106.7 131.18 54.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.234 0.54 . . . . 0.0 111.968 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.691 ' HB3' ' H ' ' A' ' 28' ' ' ASP . 10.7 tp -64.49 143.44 57.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.986 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.924 HD23 ' HA ' ' A' ' 26' ' ' VAL . 72.3 mt -149.96 134.12 17.15 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.47 ' O ' HG23 ' A' ' 23' ' ' VAL . 40.7 ttmt -91.2 141.04 29.23 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.721 178.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.62 ' CZ3' ' HB ' ' A' ' 23' ' ' VAL . 10.8 m95 -126.22 136.28 52.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.07 0.462 . . . . 0.0 111.736 -178.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.595 ' HB2' ' NZ ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -60.09 147.1 40.64 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.5 -179.801 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.11 -52.9 4.09 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.606 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.08 141.09 56.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.707 0.289 . . . . 0.0 110.591 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.5 t -50.9 143.06 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 64.3 t0 -52.96 -45.66 67.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 48' ' ' GLU . 8.7 mp0 -58.64 -25.82 63.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.461 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -73.59 34.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.536 ' HB3' HD11 ' A' ' 39' ' ' LEU . 74.3 m-20 -72.93 141.36 47.83 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 178.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.416 HG21 HH22 ' B' ' 9' ' ' MLY . 48.4 p -129.66 128.41 42.52 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.673 ' NE1' HD13 ' A' ' 39' ' ' LEU . 10.7 m95 -80.97 108.97 15.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.591 178.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.766 ' HB2' HD21 ' A' ' 58' ' ' LEU . 31.0 mt-10 -100.9 150.31 36.93 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.348 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.458 ' HB2' ' OD1' ' A' ' 57' ' ' ASN . 38.4 Cg_exo -55.23 136.73 74.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.141 1.894 . . . . 0.0 111.7 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.99 -39.73 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.85 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -64.62 -44.91 89.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.809 179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.584 ' HA ' HH21 ' B' ' 8' ' ' ARG . 3.9 m120 -59.04 -34.53 72.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.689 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 53' ' ' GLU . 6.3 mt -59.46 127.79 33.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.034 0.445 . . . . 0.0 111.643 -178.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.926 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 9.0 t70 -102.28 49.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.332 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.668 ' HB2' ' HG3' ' B' ' 5' ' ' GLN . 24.0 p -163.23 65.47 1.51 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.442 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.529 ' HA ' HD13 ' A' ' 64' ' ' ILE . 10.8 Cg_endo -53.77 -27.28 42.36 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.756 2.304 . . . . 0.0 112.112 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.484 ' O ' ' HG3' ' A' ' 66' ' ' GLU . 55.2 m-20 -53.29 -46.9 69.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.6 ' HG ' ' HG2' ' B' ' 5' ' ' GLN . 66.5 mt -61.94 -44.75 96.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.241 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.583 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 2.0 mp -52.34 -45.93 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.986 0.422 . . . . 0.0 110.471 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -68.65 -41.61 79.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.015 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 62' ' ' ASP . 54.0 mt-10 -59.72 -40.39 87.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.782 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.433 ' HB2' HG22 ' A' ' 26' ' ' VAL . 16.1 t80 -69.26 -45.84 68.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -179.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 82.7 mt -63.32 -20.72 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.95 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 3.4 mm100 -48.83 -43.48 38.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.666 0.27 . . . . 0.0 110.855 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.7 m -56.66 -47.28 80.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.064 0.459 . . . . 0.0 109.896 179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -75.64 -127.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.329 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' N ' ' A' ' 74' ' ' ALA . 65.0 tttp 64.04 125.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 120.694 0.283 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 88.9 m 56.76 -85.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.312 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' LYS . . . -82.08 48.42 1.24 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.955 0.407 . . . . 0.0 110.168 178.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.404 ' ND1' ' N ' ' A' ' 76' ' ' GLU . 11.0 p80 -49.09 -36.4 18.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.503 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' N ' ' ND1' ' A' ' 75' ' ' HIS . 4.5 tm-20 -169.04 135.64 1.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.535 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 79' ' ' LYS . 85.3 m -160.8 136.91 8.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.677 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -76.75 32.87 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.412 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 77' ' ' THR . 60.9 pttt 36.56 -141.24 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.682 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.6 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.954 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.774 0.321 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 21.4 ptt-85 -66.79 134.43 52.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.192 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.675 HG22 ' HG3' ' B' ' 4' ' ' MLY . 92.1 m -163.21 -63.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.675 ' HG3' HG22 ' B' ' 3' ' ' THR . . . . . . . . 0 C--O 1.233 0.199 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.668 ' HG3' ' HB2' ' A' ' 60' ' ' CYS . 13.1 mp0 63.6 137.84 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.056 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 32.7 p -150.15 -35.33 0.16 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.926 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . 60.0 -152.63 0.39 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.584 HH21 ' HA ' ' A' ' 57' ' ' ASN . 84.8 mtm180 -157.99 133.13 8.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 111.363 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.496 ' HA ' ' OE2' ' A' ' 53' ' ' GLU . . . . . . . . 0 C--N 1.332 -0.16 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.329 179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.1 t -57.56 112.48 1.45 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.753 0.311 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m 61.22 127.03 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.488 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.53 123.99 32.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.277 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.31 41.57 2.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.647 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' B' ' 15' ' ' ALA . 49.9 tptt -174.8 -123.3 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 110.468 -0.197 . . . . 0.0 110.468 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.433 ' N ' ' HD3' ' B' ' 16' ' ' PRO . . . -169.62 59.43 0.36 Allowed Pre-proline 0 CA--C 1.53 0.18 0 CA-C-O 120.618 0.247 . . . . 0.0 111.08 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' B' ' 15' ' ' ALA . 51.4 Cg_exo -53.52 137.98 66.01 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.565 2.176 . . . . 0.0 112.393 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.82 47.64 2.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.918 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.091 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.438 -179.997 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.858 0.361 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.3 tpp -169.83 46.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.221 0.534 . . . . 0.0 110.387 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 11' ' ' GLU . 7.4 p -174.69 -43.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.787 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' N ' HG13 ' A' ' 10' ' ' VAL . 43.9 tp10 -67.14 147.22 53.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.494 179.519 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.588 ' HG2' HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -158.36 -44.35 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.566 -179.811 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG12 ' HG2' ' A' ' 12' ' ' GLU . 14.4 p -175.58 43.53 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-O 121.302 0.572 . . . . 0.0 111.216 -179.766 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 52.6 tp -78.86 134.03 36.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.723 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -173.65 145.02 1.15 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.861 0.362 . . . . 0.0 111.204 -179.956 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -145.11 -47.01 0.23 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.601 179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 4.9 tp10 55.26 38.08 29.86 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.092 179.638 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.609 ' HB3' ' HB3' ' B' ' 8' ' ' ARG . 95.0 mt-10 -97.73 123.8 41.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.976 179.702 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.618 ' HB2' ' HE1' ' A' ' 21' ' ' TYR . 55.9 mt-10 -89.52 135.87 33.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.173 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' B' ' 6' ' ' THR . 9.5 pt-20 -79.29 76.35 5.84 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.892 -179.715 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.618 ' HE1' ' HB2' ' A' ' 19' ' ' GLU . 5.7 m-85 -61.09 132.75 54.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.666 0.27 . . . . 0.0 110.567 179.256 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.594 HG11 HH13 ' B' ' 4' ' ' MLY . 84.0 t -59.77 137.52 22.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.47 HG21 ' HB3' ' B' ' 7' ' ' ALA . 47.8 t -125.6 125.75 69.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.926 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -76.63 -46.0 27.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.012 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 4.9 ttmp? -174.33 140.69 0.67 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.042 -179.704 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.901 ' HA ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -67.97 130.01 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 179.4 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.828 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 91.6 mt -77.75 -50.72 11.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -178.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.536 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 30.9 t0 -149.58 -151.66 0.4 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 120.288 -0.565 . . . . 0.0 112.035 -179.323 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 42.5 ttp180 -163.97 134.67 4.37 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.104 -179.175 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 14.6 ptm180 -156.14 147.28 22.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.725 179.014 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' HB ' ' HA ' ' A' ' 36' ' ' VAL . 8.6 p -135.96 141.3 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.607 179.307 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.859 HG23 ' HG3' ' A' ' 33' ' ' LYS . 14.3 m -119.72 -33.97 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.517 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.859 ' HG3' HG23 ' A' ' 32' ' ' VAL . 52.4 mttp -145.24 51.29 1.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.584 -179.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.81 -8.31 7.92 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.456 -0.878 . . . . 0.0 111.571 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' HD2' HG22 ' A' ' 32' ' ' VAL . 8.6 ptpt -89.0 43.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.328 -0.436 . . . . 0.0 110.759 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 36' ' ' VAL . 7.7 p -36.32 95.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.363 -179.16 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' A' ' 52' ' ' TRP . 13.8 pt-20 -89.11 126.66 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.581 179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.537 ' HB2' HD11 ' A' ' 58' ' ' LEU . 15.0 m-85 -97.01 133.78 41.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.647 -179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.828 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -66.9 139.87 57.75 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.184 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.901 HD23 ' HA ' ' A' ' 26' ' ' VAL . 94.6 mt -143.23 129.81 20.19 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.648 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HA ' ' OD1' ' A' ' 50' ' ' ASN . 3.6 tmmm? -85.49 110.16 18.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 178.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.8 m95 -92.0 140.39 29.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.374 -178.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -62.52 146.09 52.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.274 -179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.25 -43.58 2.29 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.023 -179.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' CZ ' HH21 ' B' ' 9' ' ' MLY . 2.6 m-85 -78.84 128.77 33.79 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 179.727 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -63.61 172.98 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.589 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 35.5 t70 -56.57 -42.47 78.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.377 -179.599 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -61.3 -40.32 93.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.411 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 1.1 m-20 -62.37 -24.71 67.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.242 -179.565 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 85.9 m-20 -45.39 145.85 1.11 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.083 0.468 . . . . 0.0 111.45 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.0 t -144.83 130.59 19.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.409 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.779 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 5.4 m95 -69.32 128.89 38.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.571 -179.331 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.682 ' HB2' HD21 ' A' ' 58' ' ' LEU . 55.9 mm-40 -114.78 145.91 34.94 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.495 ' O ' ' HG ' ' A' ' 58' ' ' LEU . 11.7 Cg_endo -54.66 134.61 63.24 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.44 2.093 . . . . 0.0 111.691 179.653 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 42.1 tt0 -52.7 -40.18 62.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.547 -179.185 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.88 -46.87 74.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' CG ' ' HG2' ' A' ' 54' ' ' PRO . 2.8 m120 -64.4 -37.66 88.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.96 179.794 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.682 HD21 ' HB2' ' A' ' 53' ' ' GLU . 12.1 mt -58.7 130.09 45.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.654 -178.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -111.82 43.0 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.61 178.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.683 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 56.3 m -125.8 61.39 38.17 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.144 -179.305 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.443 ' HD3' ' C ' ' A' ' 59' ' ' ASP . 50.3 Cg_exo -53.67 -42.57 65.03 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.36 2.04 . . . . 0.0 112.556 -179.753 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.47 ' H ' HE21 ' B' ' 5' ' ' GLN . 64.8 t0 -67.29 -48.72 66.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.405 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 60' ' ' CYS . 43.2 mt -60.47 -45.05 95.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.682 -0.235 . . . . 0.0 111.342 -179.631 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 60' ' ' CYS . 80.0 mt -55.31 -54.29 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.639 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -55.26 -38.47 68.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.455 179.063 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 63' ' ' LEU . 17.7 tp10 -58.61 -33.5 70.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.42 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.477 ' HB2' HG22 ' A' ' 26' ' ' VAL . 46.1 t80 -72.67 -55.63 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -179.248 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.667 HD22 ' H ' ' A' ' 68' ' ' LEU . 2.4 mm? -64.06 -45.23 89.7 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 28.1 mt-30 -53.51 -42.82 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.589 0.233 . . . . 0.0 111.287 -179.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 55.5 m -57.89 -50.8 72.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.099 0.476 . . . . 0.0 110.348 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -84.32 -121.3 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.911 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt 65.31 66.7 0.53 Allowed 'General case' 0 C--O 1.231 0.097 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 -179.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.7 p 55.74 54.75 7.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.601 -179.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.98 -131.62 0.28 Allowed 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.61 -179.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -166.69 132.46 2.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.109 0.48 . . . . 0.0 111.491 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -155.22 44.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.502 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 84.6 m 65.75 137.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.286 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -168.04 139.61 2.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.961 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 2.6 mmmp? -61.44 -48.02 83.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.159 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 C--O 1.251 1.144 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.032 -179.893 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.962 0.41 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.428 HH11 ' HG2' ' B' ' 2' ' ' ARG . 11.7 tpt180 -63.12 140.05 58.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.815 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 75.5 p -143.08 133.32 24.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.594 HH13 HG11 ' A' ' 22' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.955 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.683 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 12.2 mm100 -155.43 -41.97 0.08 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.074 179.714 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.5 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 43.6 p 59.42 141.43 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.597 179.185 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.47 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -135.64 119.54 17.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.938 178.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.609 ' HB3' ' HB3' ' A' ' 18' ' ' GLU . 83.0 mtm180 -72.83 125.66 28.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.361 -179.302 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.457 HH21 ' CZ ' ' A' ' 45' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.192 179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 48.3 t -76.27 44.03 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.425 -179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.428 ' H ' ' C ' ' B' ' 9' ' ' MLY . 82.7 p -66.96 -54.22 24.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.984 179.691 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.07 131.62 30.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 179.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.89 52.65 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 37.9 mtmm 61.26 47.96 6.58 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.787 0.327 . . . . 0.0 110.7 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.411 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . 65.91 132.72 0.04 OUTLIER Pre-proline 0 CA--C 1.529 0.148 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.305 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 45.6 Cg_exo -56.37 137.18 79.26 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.512 2.141 . . . . 0.0 112.339 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.81 44.26 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.456 -1.191 . . . . 0.0 112.407 179.946 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.509 0.195 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.0 ptm 39.86 47.34 1.84 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.627 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.2 t -60.01 133.45 25.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.029 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -69.21 -149.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -77.25 -50.87 11.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.805 0.336 . . . . 0.0 111.124 -179.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' ' 13' ' ' VAL . 16.8 t 57.35 50.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.16 0.505 . . . . 0.0 110.804 -179.833 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.4 tp -173.37 50.19 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.606 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -148.67 135.95 20.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.479 ' N ' ' OE1' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -172.1 -41.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 56.43 44.62 24.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.112 0.482 . . . . 0.0 110.556 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.445 ' HB3' ' HD3' ' B' ' 8' ' ' ARG . 56.6 mt-10 -80.46 46.58 0.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.371 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 5.5 tp10 -58.31 131.53 50.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.937 179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.8 ' HA ' ' HA ' ' B' ' 8' ' ' ARG . 40.7 mt-10 -81.65 117.55 22.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.006 179.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -91.22 131.35 36.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.712 179.516 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.647 ' HA ' HG22 ' B' ' 6' ' ' THR . 51.3 t -62.11 123.07 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.402 . . . . 0.0 111.406 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.661 HG11 HD12 ' A' ' 40' ' ' LEU . 58.9 t -96.66 128.32 47.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.429 179.296 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -72.68 -49.54 30.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.08 -179.784 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HE2' HD22 ' A' ' 63' ' ' LEU . 4.2 tppp? -178.41 135.63 0.15 Allowed 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.491 0.662 . . . . 0.0 111.161 -179.639 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -57.07 125.49 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.023 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.75 179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.714 ' HB2' HD13 ' A' ' 39' ' ' LEU . 91.2 mt -86.24 -53.4 5.06 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.623 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 55.8 t0 -155.57 146.33 22.21 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 120.383 -0.527 . . . . 0.0 112.186 -178.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.9 ttt180 -96.84 146.34 25.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.129 179.151 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HD3' ' OE2' ' A' ' 37' ' ' GLU . 78.0 ttt180 -153.96 161.82 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.081 0.467 . . . . 0.0 111.486 -178.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.8 t -147.95 138.71 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.373 179.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.3 p -156.61 128.13 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.172 -0.922 . . . . 0.0 109.639 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.614 ' HB2' ' NZ ' ' A' ' 33' ' ' LYS . 4.9 ttmp? 61.13 37.01 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.367 0.603 . . . . 0.0 109.857 -178.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.83 -23.76 2.97 Favored Glycine 0 C--N 1.334 0.45 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.566 -179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -58.37 148.63 27.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.024 0.44 . . . . 0.0 111.142 -179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' A' ' 38' ' ' TYR . 3.1 t -115.52 78.87 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.613 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' OE2' ' HD3' ' A' ' 30' ' ' ARG . 12.5 pt-20 -87.58 126.61 35.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.13 0.49 . . . . 0.0 111.205 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.618 ' HB2' HD11 ' A' ' 58' ' ' LEU . 25.0 m-85 -110.02 145.73 36.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.387 178.24 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.714 HD13 ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -88.35 137.02 32.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.784 -179.731 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' LEU . 1.8 mm? -129.06 135.15 48.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.578 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -86.1 65.68 9.21 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.693 ' HD1' ' HA ' ' A' ' 50' ' ' ASN . 47.7 m95 -45.04 131.99 7.16 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 -178.522 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.439 ' HD2' ' HB ' ' A' ' 22' ' ' VAL . 14.6 ptmm? -63.25 143.69 57.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.895 -179.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.03 -40.68 1.91 Allowed Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.106 -179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.415 ' HB3' ' CB ' ' A' ' 49' ' ' ASP . 2.5 m-85 -74.15 133.24 42.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.877 0.37 . . . . 0.0 111.231 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.3 t -61.11 165.91 4.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.965 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.542 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 12.0 p-10 -53.03 -46.22 68.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.826 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.6 -37.59 87.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.408 179.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.415 ' CB ' ' HB3' ' A' ' 45' ' ' PHE . 53.3 m-20 -56.32 -32.45 64.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.447 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.693 ' HA ' ' HD1' ' A' ' 42' ' ' TRP . 83.1 m-20 -45.66 143.45 1.98 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.983 0.42 . . . . 0.0 110.926 -179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.568 ' H ' ' HE1' ' A' ' 42' ' ' TRP . 5.9 t -135.88 132.58 36.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.811 -179.847 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.674 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 7.0 m95 -70.61 131.1 43.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 -179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' A' ' 58' ' ' LEU . 40.5 tt0 -126.84 136.92 29.51 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.073 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.683 ' HG2' HD22 ' A' ' 57' ' ' ASN . 11.5 Cg_endo -54.38 137.54 72.02 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.537 2.158 . . . . 0.0 111.957 179.763 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.456 ' HA ' HD12 ' A' ' 58' ' ' LEU . 4.8 tm-20 -51.05 -33.82 27.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.489 -179.356 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -49.75 -52.49 31.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.505 -179.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.683 HD22 ' HG2' ' A' ' 54' ' ' PRO . 75.0 m-20 -75.18 -32.98 61.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.279 -179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 53' ' ' GLU . 26.4 mt -50.26 156.5 0.82 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.249 0.547 . . . . 0.0 111.921 -179.074 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' B' ' 5' ' ' GLN . 56.4 m-20 -142.93 45.21 1.58 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.575 -179.883 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.679 ' HA ' ' HB3' ' B' ' 5' ' ' GLN . 78.7 m -132.51 54.91 15.1 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.287 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.27 -38.75 89.52 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.234 1.956 . . . . 0.0 111.907 179.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -63.51 -48.13 78.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.988 179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.593 HD22 ' HE2' ' A' ' 25' ' ' LYS . 43.8 mt -64.3 -45.32 88.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.042 -179.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 60' ' ' CYS . 87.6 mt -53.1 -38.74 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.18 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -65.47 -45.65 82.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.273 178.825 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.5 -39.31 83.39 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.807 179.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.53 -46.9 85.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.197 -179.926 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 59.4 mt -69.37 -38.71 78.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.715 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 27.6 mt-30 -52.36 -38.73 59.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.352 -179.708 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.0 t -56.72 -49.04 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.009 -179.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -70.48 -58.35 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.917 ' HE3' ' HA ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER 51.96 -118.76 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.984 -179.838 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.403 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 81.8 m -60.95 -38.42 85.81 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.96 0.409 . . . . 0.0 110.321 179.263 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.86 -45.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.011 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -171.99 47.13 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.256 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.797 ' HG2' HG23 ' A' ' 77' ' ' THR . 88.0 tt0 -63.65 136.0 57.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.896 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.797 HG23 ' HG2' ' A' ' 76' ' ' GLU . 42.9 p 58.95 136.25 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.042 179.824 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -172.57 -47.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.859 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.558 ' NZ ' ' HB3' ' A' ' 79' ' ' LYS . 0.3 OUTLIER -174.25 -144.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.811 179.798 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 54.1 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.891 179.996 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.491 0.186 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -59.59 -42.75 93.26 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.7 0.286 . . . . 0.0 111.232 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' B' ' 4' ' ' MLY . 5.5 t -63.68 122.19 15.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 0.0 111.46 -179.64 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.469 ' HB3' ' O ' ' B' ' 3' ' ' THR . . . . . . . . 0 CA--C 1.533 0.309 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.879 179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.679 ' HB3' ' HA ' ' A' ' 60' ' ' CYS . 10.2 mm100 64.03 139.15 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.887 179.272 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.647 HG22 ' HA ' ' A' ' 22' ' ' VAL . 72.6 p -119.38 -162.31 0.91 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.46 ' HB1' HD22 ' A' ' 58' ' ' LEU . . . -174.11 43.12 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.724 0.297 . . . . 0.0 110.979 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.8 ' HA ' ' HA ' ' A' ' 20' ' ' GLU . 61.1 mtt-85 32.93 -128.27 0.06 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.376 179.048 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.546 ' O ' ' HG2' ' B' ' 9' ' ' MLY . . . . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 121.438 0.637 . . . . 0.0 109.664 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 37.2 t 55.13 37.17 28.49 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.1 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 86.7 m 63.03 136.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.548 179.774 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.82 138.35 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.573 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.0 141.98 5.62 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.624 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -163.79 -75.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.577 0.227 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.41 ' HA ' ' HD3' ' B' ' 16' ' ' PRO . . . 178.69 137.29 0.25 Allowed Pre-proline 0 CA--C 1.528 0.109 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.133 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 15' ' ' ALA . 22.0 Cg_exo -64.88 -137.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.776 2.317 . . . . 0.0 112.069 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -176.85 -45.11 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.607 179.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.337 -1.257 . . . . 0.0 112.534 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.762 0.315 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 66.1 mtt 58.48 45.76 16.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.5 m -61.58 137.19 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -171.36 140.16 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.026 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -169.62 -46.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.14 139.22 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.674 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.0 mm? -62.26 132.32 52.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.677 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.32 125.05 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 5.2 mm-40 -87.88 49.24 1.77 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.297 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 40.78 -130.74 0.39 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.391 179.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -76.37 54.81 0.94 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.738 0.304 . . . . 0.0 111.4 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 39.3 tt0 -57.04 142.55 41.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -179.805 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.512 ' HA ' ' HG2' ' B' ' 8' ' ' ARG . 0.0 OUTLIER -82.19 79.32 8.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.821 179.84 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.5 m-85 -60.12 140.68 56.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.608 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.698 ' HA ' HG22 ' B' ' 6' ' ' THR . 54.4 t -58.32 -39.82 75.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.474 -179.357 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.868 HG21 ' HB3' ' B' ' 7' ' ' ALA . 21.0 t 67.07 135.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.387 179.797 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HB3' ' HB3' ' A' ' 41' ' ' LYS . 39.3 tt0 -78.5 -60.49 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.56 -179.787 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.596 ' NZ ' ' HB3' ' A' ' 25' ' ' LYS . 5.8 ttpm? 175.73 146.91 0.09 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.594 -179.194 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.742 ' HA ' HD23 ' A' ' 40' ' ' LEU . 30.8 m -61.31 130.54 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.647 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.555 HD12 ' HG ' ' A' ' 39' ' ' LEU . 93.8 mt -86.45 -19.85 29.0 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.69 179.634 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' HB2' ' CH2' ' A' ' 52' ' ' TRP . 49.5 m-20 -160.39 -154.5 0.38 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.439 HH11 ' HG2' ' A' ' 29' ' ' ARG . 44.7 ttp85 -169.0 113.84 0.57 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.485 -179.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 39.9 ptt180 -155.86 126.91 7.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.994 178.741 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.922 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 13.2 p -88.41 142.59 12.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.153 0.502 . . . . 0.0 111.205 -179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.4 m -139.02 143.06 32.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.018 179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.564 ' HE2' ' HZ2' ' A' ' 35' ' ' LYS . 24.4 pttm 45.24 40.74 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.522 0.514 . . . . 0.0 111.667 -179.314 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.89 -26.25 6.85 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 114.665 0.626 . . . . 0.0 114.665 178.474 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.734 ' C ' HG23 ' A' ' 31' ' ' VAL . 8.9 ptpp? -104.68 128.79 52.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 117.726 0.763 . . . . 0.0 111.609 -178.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.922 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . 2.7 t -72.47 124.06 28.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.936 -179.538 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 30' ' ' ARG . 24.7 pt-20 -106.5 127.04 53.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.028 0.442 . . . . 0.0 110.542 178.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.479 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 54.6 m-85 -108.97 121.84 45.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.007 179.78 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.621 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 19.5 tp -59.92 142.05 54.39 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.646 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 26' ' ' VAL . 93.0 mt -144.45 130.98 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.629 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 6.0 tmtm? -80.33 75.92 7.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.273 178.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.433 ' HZ2' ' HB2' ' A' ' 53' ' ' GLU . 56.7 m95 -52.34 124.05 12.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.774 -178.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -55.6 142.67 32.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.218 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.31 -43.09 2.46 Favored Glycine 0 N--CA 1.45 -0.425 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.481 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' HB3' ' HB2' ' A' ' 49' ' ' ASP . 2.5 m-85 -72.96 137.65 45.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.892 0.377 . . . . 0.0 111.306 -179.779 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.3 t -57.41 154.95 9.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.169 -179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -51.01 -34.99 31.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -67.91 -38.63 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.573 179.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 45' ' ' PHE . 31.0 m-20 -60.68 -18.44 53.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.612 -179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.629 ' ND2' ' HA ' ' A' ' 41' ' ' LYS . 3.0 m120 -43.11 144.4 0.65 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.924 0.392 . . . . 0.0 111.43 -179.68 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 30.1 m -146.61 130.71 17.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.447 -179.241 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.589 ' NE1' HD13 ' A' ' 39' ' ' LEU . 11.2 m95 -70.34 119.53 14.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.783 179.412 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.663 ' HB3' HD21 ' A' ' 58' ' ' LEU . 20.4 tp10 -109.55 130.85 22.31 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.32 -179.04 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.706 ' HG2' HD22 ' A' ' 57' ' ' ASN . 11.8 Cg_endo -55.32 140.0 81.65 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.718 2.279 . . . . 0.0 112.062 179.672 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HA ' HD12 ' A' ' 58' ' ' LEU . 4.5 tm-20 -53.35 -35.28 60.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.413 -179.503 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -51.37 -49.46 61.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.66 0.267 . . . . 0.0 111.239 -179.722 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.706 HD22 ' HG2' ' A' ' 54' ' ' PRO . 80.6 m-20 -71.05 -36.74 72.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.495 -0.321 . . . . 0.0 111.042 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.663 HD21 ' HB3' ' A' ' 53' ' ' GLU . 23.8 mt -52.38 129.37 28.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.398 -179.189 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' B' ' 6' ' ' THR . 38.7 t70 -117.58 45.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.601 179.188 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.403 ' HB3' ' H ' ' B' ' 6' ' ' THR . 24.7 p -160.26 62.1 1.72 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.084 -179.146 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . 0.792 ' HA ' HD13 ' A' ' 64' ' ' ILE . 61.9 Cg_exo -51.84 -24.94 19.81 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.15 -39.13 63.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.716 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 25' ' ' LYS . 81.6 mt -69.38 -40.38 77.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.717 0.294 . . . . 0.0 110.392 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.792 HD13 ' HA ' ' A' ' 61' ' ' PRO . 2.4 mp -57.68 -47.6 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.744 179.167 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 69' ' ' GLN . . . -64.44 -41.42 96.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.272 179.078 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -55.55 -39.32 70.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.343 179.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.577 ' HB2' ' CG2' ' A' ' 26' ' ' VAL . 20.1 t80 -58.09 -56.94 15.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.653 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 68' ' ' LEU . 5.5 mp -60.5 -42.97 97.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.496 -179.721 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.509 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 73.9 mt-30 -52.65 -38.91 61.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.916 0.389 . . . . 0.0 110.115 179.571 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.4 t -63.5 -44.15 95.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.076 179.155 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -82.64 38.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.168 -179.791 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HB3' ' NZ ' ' A' ' 72' ' ' LYS . 6.5 ttpm? -61.95 119.71 9.36 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.427 HG22 ' HG2' ' A' ' 72' ' ' LYS . 9.0 t 38.3 36.86 0.13 Allowed 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.498 0.499 . . . . 0.0 110.95 -179.345 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 63.17 124.99 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.119 -179.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -63.45 -40.22 96.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.57 ' HG3' HG23 ' A' ' 77' ' ' THR . 45.3 tp10 -171.44 139.17 1.25 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.601 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.57 HG23 ' HG3' ' A' ' 76' ' ' GLU . 80.6 p 50.77 -139.22 0.95 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 -179.816 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -173.59 -36.81 0.01 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.548 0.213 . . . . 0.0 111.371 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.588 ' HB2' ' NZ ' ' A' ' 79' ' ' LYS . 10.1 mtmp? 59.45 46.35 12.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.914 179.944 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.417 ' C ' ' H ' ' B' ' 3' ' ' THR . . . . . . . . 0 N--CA 1.484 1.234 0 CA-C-O 120.296 0.093 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.738 ' HB3' ' NH1' ' B' ' 2' ' ' ARG . 0.1 OUTLIER 73.7 -35.23 0.31 Allowed 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 122.627 0.371 . . . . 0.0 111.275 179.896 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . 0.464 ' OG1' ' HD2' ' B' ' 2' ' ' ARG . 97.3 m -162.53 140.92 8.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.673 0.273 . . . . 0.0 110.796 179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.568 ' N ' ' HD2' ' B' ' 4' ' ' MLY . . . . . . . . 0 CA--C 1.531 0.232 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.259 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.435 HE21 ' HA ' ' B' ' 5' ' ' GLN . 2.5 mm100 -63.47 130.1 42.98 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.194 -179.328 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.698 HG22 ' HA ' ' A' ' 22' ' ' VAL . 37.8 p -155.98 140.73 17.06 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.581 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.868 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -135.04 120.44 19.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.159 178.891 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.512 ' HG2' ' HA ' ' A' ' 20' ' ' GLU . 83.9 mtm180 -80.02 127.28 32.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.449 -179.327 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.405 ' HD3' HH12 ' B' ' 9' ' ' MLY . . . . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.107 179.243 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 47.7 t -56.28 118.37 4.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.746 0.308 . . . . 0.0 110.81 -179.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 40.9 p -154.89 -42.59 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -55.43 135.99 47.29 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.642 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.82 -127.39 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.711 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -163.99 -39.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.89 136.04 1.93 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -63.77 -42.3 20.72 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.538 2.159 . . . . 0.0 112.576 -179.834 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 64.3 45.18 94.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.473 -179.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.381 -1.233 . . . . 0.0 112.362 -179.961 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.7 m80 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.905 0.384 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 27.7 ttt -66.66 -42.87 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.1 m -65.99 -160.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.293 -179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -78.69 127.56 32.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.991 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 37.65 -147.71 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.646 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.2 m -96.6 133.82 36.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.968 179.75 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.634 HD13 ' N ' ' A' ' 15' ' ' GLU . 2.9 tm? -68.34 133.67 49.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.5 -179.682 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.634 ' N ' HD13 ' A' ' 14' ' ' LEU . 16.6 pt-20 -170.26 132.68 1.05 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.757 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 17' ' ' GLU . 16.1 tp10 -71.69 -120.7 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.769 -179.735 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 39.6 tt0 -169.9 132.26 1.11 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.646 0.26 . . . . 0.0 110.813 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 42.92 43.22 3.44 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.591 179.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' HB3' ' HE1' ' A' ' 21' ' ' TYR . 89.1 tt0 -94.63 151.72 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.049 -179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.471 ' HB3' ' CB ' ' B' ' 6' ' ' THR . 52.4 mt-10 -74.15 135.05 42.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.571 179.474 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.568 ' CD2' HH22 ' B' ' 9' ' ' MLY . 7.2 m-85 -124.88 139.49 53.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.964 0.411 . . . . 0.0 111.484 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.18 144.65 14.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.158 179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.818 HG21 HD23 ' A' ' 40' ' ' LEU . 5.9 p -153.11 128.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.479 179.298 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.78 -52.65 14.17 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -178.197 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -172.96 146.11 1.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.146 -0.221 . . . . 0.0 111.507 -178.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.634 HG12 ' HG ' ' A' ' 40' ' ' LEU . 25.2 m -63.66 135.47 27.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.412 0 CA-C-O 120.902 0.382 . . . . 0.0 110.853 178.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 41' ' ' LYS . 94.0 mt -76.17 -23.78 54.74 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.252 179.601 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' A' ' 29' ' ' ARG . 30.2 t0 -174.67 -145.36 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 119.805 -0.758 . . . . 0.0 112.52 179.77 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.499 ' H ' ' CG ' ' A' ' 28' ' ' ASP . 74.2 ttt180 -168.47 139.89 2.7 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.094 -179.026 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.482 ' HG2' ' CE3' ' A' ' 52' ' ' TRP . 15.1 ptm180 -155.41 150.05 26.28 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.077 0.465 . . . . 0.0 111.964 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.1 t -121.05 127.37 75.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.376 179.012 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.677 HG23 ' HG2' ' A' ' 33' ' ' LYS . 33.6 m -92.87 -42.79 13.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.868 0.366 . . . . 0.0 111.674 -179.461 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.677 ' HG2' HG23 ' A' ' 32' ' ' VAL . 24.3 pttm -170.11 50.39 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.242 0.544 . . . . 0.0 109.77 -179.774 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 107.25 -27.35 15.93 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.874 -0.891 . . . . 0.0 110.874 -178.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' HB2' HG22 ' A' ' 32' ' ' VAL . 30.0 mmmt -64.42 153.06 39.84 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.542 -0.329 . . . . 0.0 110.362 179.405 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.597 HG12 ' CE1' ' A' ' 38' ' ' TYR . 3.3 t -124.42 70.05 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.218 -179.335 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 12.1 pt-20 -88.02 131.4 34.66 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.088 0.47 . . . . 0.0 111.658 -179.474 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.597 ' CE1' HG12 ' A' ' 36' ' ' VAL . 50.8 m-85 -113.7 144.69 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.968 179.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.577 ' HG ' HD12 ' A' ' 27' ' ' LEU . 21.2 tp -87.48 149.77 24.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.299 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 23' ' ' VAL . 4.2 mp -148.16 137.46 22.11 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.905 -179.279 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 27' ' ' LEU . 17.0 tppt? -83.72 72.62 10.34 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.074 178.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.691 ' HH2' ' HB3' ' B' ' 7' ' ' ALA . 59.2 m95 -55.33 133.44 49.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.209 0.528 . . . . 0.0 111.708 -178.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' NZ ' HH21 ' B' ' 4' ' ' MLY . 86.4 tttt -67.55 142.82 56.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.742 -179.511 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.86 -45.8 2.79 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.645 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.418 ' CE2' HH21 ' B' ' 9' ' ' MLY . 5.7 m-85 -74.79 135.8 41.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.828 0.347 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.474 ' HB2' ' OE2' ' A' ' 48' ' ' GLU . 51.7 m -55.68 150.42 12.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.182 -179.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.411 ' HA ' ' ND2' ' A' ' 50' ' ' ASN . 2.5 p30 -54.92 -39.7 69.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' A' ' 46' ' ' SER . 1.1 pp20? -62.41 -29.27 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.0 110.898 179.794 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -67.59 -29.61 69.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.653 -179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 47' ' ' ASP . 82.1 m-20 -43.48 141.6 1.36 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.872 0.368 . . . . 0.0 111.168 -179.322 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -142.76 131.47 22.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.952 179.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.543 ' CE2' ' HB2' ' A' ' 39' ' ' LEU . 10.7 m95 -66.79 140.89 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.786 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.828 ' HG3' HD21 ' A' ' 58' ' ' LEU . 5.1 pt-20 -141.74 141.76 23.42 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -178.141 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.699 ' HG2' HD22 ' A' ' 57' ' ' ASN . 10.9 Cg_endo -54.25 139.62 72.7 Favored 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.147 2.565 . . . . 0.0 112.658 -179.798 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HA ' ' HG ' ' A' ' 58' ' ' LEU . 37.8 tt0 -58.8 -24.67 62.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.922 -179.646 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -57.95 -51.65 68.77 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.699 HD22 ' HG2' ' A' ' 54' ' ' PRO . 76.3 m-20 -69.44 -34.43 74.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.543 -179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.828 HD21 ' HG3' ' A' ' 53' ' ' GLU . 7.7 mt -54.49 125.43 19.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.791 -178.477 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.85 ' H ' ' HA ' ' B' ' 7' ' ' ALA . 32.7 t70 -107.38 44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.286 179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 25.0 p -164.09 60.67 0.86 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.281 -179.47 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -54.6 -24.23 35.85 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.604 2.203 . . . . 0.0 111.877 179.494 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.598 ' HB2' ' NE2' ' B' ' 5' ' ' GLN . 1.5 m-20 -52.77 -38.58 61.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.798 HD21 ' HG3' ' B' ' 5' ' ' GLN . 50.7 mt -66.64 -46.35 76.06 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.862 0.363 . . . . 0.0 110.477 179.807 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.476 ' O ' ' HG ' ' A' ' 68' ' ' LEU . 86.3 mt -55.55 -48.12 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.494 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.593 ' O ' ' HG2' ' A' ' 69' ' ' GLN . . . -66.02 -39.56 90.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.964 178.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -58.59 -42.56 88.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.673 179.637 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 18.2 t80 -63.72 -45.05 91.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.436 179.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 73.9 mt -65.04 -39.75 93.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.687 -179.357 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 97.3 mm-40 -53.97 -35.92 62.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.305 -179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.9 m -55.4 -51.51 66.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 -179.81 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -76.39 -53.93 7.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.867 179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' O ' ' HB ' ' A' ' 73' ' ' THR . 23.7 ttmm 53.04 53.79 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.568 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 72' ' ' LYS . 76.7 m 75.57 -54.8 0.63 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.525 -179.188 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.2 -131.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.03 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -174.59 127.32 0.32 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.789 0.328 . . . . 0.0 110.617 179.362 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -152.39 -41.06 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.651 179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 78' ' ' ASP . 15.3 t 41.09 -142.42 0.07 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.434 -179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.475 ' N ' HG23 ' A' ' 77' ' ' THR . 63.2 t0 -173.68 51.82 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.036 0.446 . . . . 0.0 110.451 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.803 ' HE2' ' HA ' ' A' ' 79' ' ' LYS . 0.6 OUTLIER -55.79 129.76 40.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.861 -179.713 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.401 ' H ' ' NZ ' ' A' ' 79' ' ' LYS . 40.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -64.46 -37.94 89.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -163.93 -34.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.5 -179.692 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . 0.54 ' HG3' HH13 ' B' ' 4' ' ' MLY . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.048 0.451 . . . . 0.0 111.616 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.798 ' HG3' HD21 ' A' ' 63' ' ' LEU . 10.7 mm100 -84.35 137.49 33.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.6 179.434 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.58 ' O ' ' HB3' ' A' ' 59' ' ' ASP . 34.6 p -138.66 121.56 16.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.85 ' HA ' ' H ' ' A' ' 59' ' ' ASP . . . -91.28 -15.74 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.976 179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.415 ' HG3' HH11 ' B' ' 8' ' ' ARG . 46.6 ttm-85 73.04 -15.8 0.5 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.791 179.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.568 HH22 ' CD2' ' A' ' 21' ' ' TYR . . . . . . . . 0 C--N 1.331 -0.196 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.839 -179.694 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 39.8 t -166.41 41.03 0.05 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.91 0.386 . . . . 0.0 111.129 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 89.8 m -73.06 -52.11 15.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.805 179.637 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 53.86 -147.31 20.55 Favored Glycine 0 C--N 1.33 0.238 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.773 179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 160.06 133.07 1.44 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.907 -0.664 . . . . 0.0 112.472 179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -175.56 132.21 0.28 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.792 0.33 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.75 133.35 88.52 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.098 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . 0.413 ' HB2' ' H ' ' B' ' 17' ' ' GLY . 69.2 Cg_endo -72.66 -137.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.539 2.16 . . . . 0.0 112.161 179.815 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . 0.413 ' H ' ' HB2' ' B' ' 16' ' ' PRO . . . -64.44 -45.73 92.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.305 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.524 179.886 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.586 0.231 . . . . 0.0 111.293 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.8 mtt -62.83 -46.98 85.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.884 0.373 . . . . 0.0 110.633 179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.401 ' HB ' ' H ' ' A' ' 11' ' ' GLU . 20.8 m -150.14 -141.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.587 179.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' H ' ' HB ' ' A' ' 10' ' ' VAL . 45.0 tp10 64.52 136.05 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 121.1 0.476 . . . . 0.0 111.419 179.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -172.72 -45.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.523 179.807 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.48 149.65 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.797 179.548 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 95.0 mt -49.11 132.27 19.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.82 -179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -75.91 32.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.893 -179.267 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -80.46 120.41 24.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.747 -0.206 . . . . 0.0 110.563 179.261 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 177.73 144.34 0.11 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' HG2' ' H ' ' A' ' 18' ' ' GLU . 5.8 pt-20 -62.81 -112.59 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.57 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' B' ' 8' ' ' ARG . 86.4 tt0 58.63 144.09 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.203 0.525 . . . . 0.0 112.295 179.041 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.553 ' HB3' ' OG1' ' B' ' 6' ' ' THR . 1.3 mp0 -68.81 77.45 0.31 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.353 -179.554 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -61.07 140.58 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.126 179.597 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.563 ' HA ' HG22 ' B' ' 6' ' ' THR . 40.8 t -55.64 142.85 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.674 -179.502 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.99 HG11 HD23 ' A' ' 40' ' ' LEU . 95.3 t -138.66 133.48 42.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.8 179.731 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -72.99 -68.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.384 -179.642 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HD3' HD22 ' A' ' 63' ' ' LEU . 46.3 mmtm -156.57 144.51 19.46 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 111.489 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' A' ' 67' ' ' PHE . 6.5 t -64.89 117.93 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.716 179.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.886 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 7.5 mp -75.22 -59.46 2.73 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 38.5 t70 -164.06 150.59 11.44 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 29' ' ' ARG . 36.2 ptt85 -112.83 148.01 35.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.817 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.564 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 41.5 ptt180 -155.22 147.23 23.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.013 0.435 . . . . 0.0 112.061 -179.351 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 35' ' ' LYS . 39.0 t -108.72 133.31 54.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.023 178.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.742 HG23 ' HG2' ' A' ' 33' ' ' LYS . 32.7 m -80.85 -37.23 16.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.941 0.401 . . . . 0.0 111.62 -179.428 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HG2' HG23 ' A' ' 32' ' ' VAL . 18.4 ptpt -165.91 -30.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.3 0.572 . . . . 0.0 110.015 -179.769 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.39 -17.47 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.426 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.545 ' O ' HG13 ' A' ' 31' ' ' VAL . 12.8 mmmm -71.95 -161.83 0.08 Allowed 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.362 179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 6.4 t -153.71 137.26 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.179 179.407 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.648 ' HA ' ' O ' ' A' ' 53' ' ' GLU . 16.7 pt-20 -152.15 132.43 13.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.925 0.393 . . . . 0.0 111.205 179.394 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.493 ' O ' ' HA ' ' A' ' 52' ' ' TRP . 5.1 m-85 -114.37 143.92 44.11 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.615 -179.708 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.886 ' HB3' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -90.48 134.41 34.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.746 179.285 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.99 HD23 HG11 ' A' ' 23' ' ' VAL . 6.4 mp -140.87 132.41 27.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.219 -179.566 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.674 ' HB2' HD11 ' A' ' 27' ' ' LEU . 48.0 tptt -79.06 107.05 11.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.574 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.494 ' HE1' ' HB ' ' A' ' 51' ' ' THR . 39.6 m95 -81.18 131.79 35.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 111.004 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -70.56 144.6 51.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.453 -179.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.27 -50.25 3.95 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 121.068 -0.587 . . . . 0.0 113.11 179.527 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.452 ' CE2' HH12 ' B' ' 9' ' ' MLY . 2.0 m-85 -62.65 145.38 54.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.616 0.246 . . . . 0.0 110.655 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.493 ' OG ' ' HB2' ' A' ' 49' ' ' ASP . 78.9 p -48.93 144.96 4.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 -179.675 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.537 ' HB3' ' HZ1' ' A' ' 41' ' ' LYS . 27.6 m-20 -55.21 -45.29 75.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.406 -179.518 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.83 -19.31 64.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.476 -179.801 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' HB2' ' OG ' ' A' ' 46' ' ' SER . 54.3 t0 -75.23 41.52 0.18 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -179.114 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.652 ' HB3' HD21 ' A' ' 39' ' ' LEU . 5.6 m120 -64.96 139.19 58.74 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 178.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.494 ' HB ' ' HE1' ' A' ' 42' ' ' TRP . 87.6 m -138.41 130.85 28.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.956 0.408 . . . . 0.0 111.556 -179.519 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.733 ' CE2' ' HG ' ' A' ' 39' ' ' LEU . 11.9 m95 -95.46 128.93 42.71 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.305 -179.609 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.648 ' O ' ' HA ' ' A' ' 37' ' ' GLU . 42.8 mt-10 -95.41 144.81 28.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.478 179.453 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.677 ' HD2' HD22 ' A' ' 57' ' ' ASN . 56.0 Cg_endo -71.15 35.14 0.27 Allowed 'Trans proline' 0 CA--C 1.533 0.47 0 C-N-CA 122.565 2.177 . . . . 0.0 114.246 -179.006 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.561 ' C ' HD23 ' A' ' 58' ' ' LEU . 42.5 tt0 67.01 -35.13 0.24 Allowed 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 178.611 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 23.0 pt-20 -71.21 -50.83 28.95 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.677 HD22 ' HD2' ' A' ' 54' ' ' PRO . 77.6 m-20 -59.59 -20.29 54.81 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -179.304 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD23 ' C ' ' A' ' 55' ' ' GLU . 0.9 OUTLIER -52.54 146.13 10.47 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.017 0.437 . . . . 0.0 111.373 -179.458 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.526 ' OD2' ' HG3' ' B' ' 8' ' ' ARG . 56.2 m-20 -151.55 46.19 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.097 179.564 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.537 ' HB2' ' HB2' ' B' ' 5' ' ' GLN . 25.4 p -145.06 62.17 8.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.537 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -50.86 -38.85 58.46 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.853 2.369 . . . . 0.0 112.351 -179.712 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' B' ' 5' ' ' GLN . 2.2 p30 -60.3 -41.94 94.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.08 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 25' ' ' LYS . 42.0 mt -70.82 -45.01 65.35 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 120.775 0.321 . . . . 0.0 110.695 179.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.6 mt -52.98 -43.54 47.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.79 -38.34 90.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.55 -41.01 93.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.138 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 28' ' ' ASP . 27.4 t80 -62.39 -45.43 93.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.624 -179.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.1 mt -76.1 -37.71 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.021 0.439 . . . . 0.0 111.043 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -57.54 -39.88 77.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.924 -179.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.5 t -59.41 -49.75 76.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.297 -179.742 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -61.85 1.62 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.288 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.3 tptt 53.83 -113.36 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.078 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 85.7 m -61.47 -39.68 91.79 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.883 0.373 . . . . 0.0 110.61 179.43 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -169.18 -46.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -174.89 -44.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.619 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' HG22 ' A' ' 77' ' ' THR . 22.9 pt-20 -58.03 -37.66 74.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.806 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.518 HG22 ' O ' ' A' ' 76' ' ' GLU . 14.3 t 50.39 130.41 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 O-C-N 124.138 0.899 . . . . 0.0 112.86 179.898 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -173.44 130.13 0.45 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.701 179.711 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -176.46 47.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.491 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.414 -0.803 . . . . 0.0 110.87 -179.896 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -171.89 133.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.868 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 91.1 m -65.85 121.9 16.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.788 179.825 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 179.965 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.715 ' H ' ' NE2' ' B' ' 5' ' ' GLN . 0.0 OUTLIER -48.53 138.44 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.311 179.87 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 22' ' ' VAL . 30.0 p -148.72 -157.61 0.83 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.091 -179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.419 ' HB1' ' OE1' ' A' ' 53' ' ' GLU . . . 178.66 129.35 0.07 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.576 179.715 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 19' ' ' GLU . 84.9 mtm180 -70.92 140.74 51.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.929 -179.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' MLY . . . . . 0.502 ' C ' ' H ' ' B' ' 11' ' ' THR . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.185 179.162 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 39.2 t -74.91 36.11 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.557 -179.592 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.502 ' H ' ' C ' ' B' ' 9' ' ' MLY . 89.8 m -95.54 -47.4 6.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.783 0.325 . . . . 0.0 111.046 179.655 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 63.5 -137.28 42.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.517 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' B' ' 14' ' ' LYS . . . 179.89 -136.44 2.75 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.415 -179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.523 ' NZ ' ' HB3' ' B' ' 14' ' ' LYS . 6.5 ttpm? 73.36 -36.67 0.36 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.736 0.415 . . . . 0.0 111.659 179.927 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' B' ' 13' ' ' GLY . . . 66.25 134.6 0.04 OUTLIER Pre-proline 0 N--CA 1.462 0.17 0 CA-C-O 120.8 0.333 . . . . 0.0 111.646 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.17 137.43 47.91 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.542 2.161 . . . . 0.0 112.272 179.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.61 135.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.459 -1.189 . . . . 0.0 112.684 -179.948 . . . . . . . . 0 0 . 1 stop_ save_