data_2aje_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 2aje _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 21' ' ' VAL . 80.8 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.543 0.211 . . . . 1.87 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -51.84 -32.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.388 . . . . 1.2 110.948 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.64 75.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.116 -0.493 . . . . 1.04 110.513 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.08 -35.38 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.809 -0.632 . . . . 2.51 110.19 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 25' ' ' VAL . 94.3 t -55.38 -34.45 34.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.596 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -48.69 -58.38 4.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.23 -0.441 . . . . 2.37 110.321 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.1 78.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.87 109.909 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.58 -29.8 68.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 1.32 110.251 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 21' ' ' VAL . 75.4 t -70.13 -42.38 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 116.149 -0.478 . . . . 1.8 110.24 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.78 -22.25 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 2.13 110.671 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.79 -37.61 16.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 1.16 112.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.7 m -85.69 -18.04 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 112.773 0.657 . . . . 1.08 112.773 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.38 -10.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.959 0.355 . . . . 0.73 111.959 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 57.7 pttt -106.54 -47.75 3.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.711 0.263 . . . . 2.16 111.711 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.529 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -111.26 32.35 5.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 1.69 111.34 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.7 168.79 42.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.834 -0.698 . . . . 0.4 112.734 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.8 p -143.14 -36.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 1.97 111.022 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.95 28.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.759 -0.734 . . . . 0.57 112.591 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.539 HH22 ' HZ2' ' A' ' 56' ' ' LYS . 11.7 ptp85 42.94 30.46 0.25 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.719 0.408 . . . . 5.16 111.711 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -63.78 -45.46 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.119 0.485 . . . . 4.68 110.378 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -71.5 -31.19 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.609 . . . . 4.06 110.685 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.1 -51.48 45.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.19 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.449 HG21 HD13 ' A' ' 55' ' ' LEU . 8.7 p -63.09 -31.97 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 2.21 111.213 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -67.98 -45.32 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 2.67 111.562 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.16 25.13 11.63 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.874 0.324 . . . . 2.6 111.874 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.2 t -54.43 -46.2 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.82 109.882 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.87 27.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.133 -0.939 . . . . 1.36 110.637 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.94 13.02 8.82 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 108.204 -1.036 . . . . 4.28 108.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.98 -54.03 4.74 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.517 -1.22 . . . . 2.1 111.447 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.14 27.25 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.83 110.9 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.71 -6.31 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 1.22 111.246 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -108.88 -5.5 16.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.375 . . . . 2.33 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 61.5 m80 63.32 111.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.066 -0.515 . . . . 4.19 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.462 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -94.46 -69.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 6.14 111.135 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.431 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 10.7 m -150.66 153.03 34.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 1.43 110.823 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.021 0.378 . . . . 1.15 112.021 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 99.0 t -78.19 -35.7 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.869 -0.332 . . . . 1.18 110.999 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.431 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 0.9 OUTLIER -56.77 -53.38 58.42 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.643 -0.503 . . . . 0.65 109.643 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 HD13 HG21 ' A' ' 39' ' ' VAL . 15.8 tp -62.8 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 2.36 109.4 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.539 ' HZ2' HH22 ' A' ' 35' ' ' ARG . 16.6 tppt? -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.446 -0.797 . . . . 3.49 110.348 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.8 -44.66 55.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.977 -0.556 . . . . 2.04 110.37 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.3 -29.03 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.551 -0.75 . . . . 2.81 111.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -80.17 -51.93 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.64 110.059 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HZ2' ' HB3' ' A' ' 60' ' ' LYS . 1.4 ttpm? -54.64 -33.39 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 1.68 111.081 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.4 t -82.44 -30.42 30.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.96 0.41 . . . . 1.52 110.337 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -33.37 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.682 -0.69 . . . . 1.85 110.236 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.8 m -90.17 -41.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 1.14 111.12 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -29.33 70.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.897 0.379 . . . . 1.77 110.578 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.2 t -81.15 -17.24 50.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 1.86 111.434 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.19 -87.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.259 -0.428 . . . . 1.34 111.386 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.48 -0.327 . . . . 3.75 111.245 -179.649 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.888 0.375 . . . . 3.95 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -51.15 -47.9 61.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 2.78 111.604 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -57.71 -29.99 65.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.633 -0.258 . . . . 2.0 111.524 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 82' ' ' LEU . 27.6 mt -79.65 -39.14 32.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.943 0.401 . . . . 1.39 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -69.37 -35.49 75.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.023 -0.535 . . . . 1.78 111.213 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 85' ' ' ARG . 13.8 ptm180 -78.74 -34.95 45.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 2.48 111.764 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 60' ' ' LYS . 13.3 p -68.94 -45.88 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.91 -0.316 . . . . 1.44 111.083 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 86' ' ' VAL . 7.0 mp -70.35 -33.2 71.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 1.88 110.845 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -69.61 -43.89 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 1.76 110.098 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.74 -57.53 12.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 1.15 111.288 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -59.16 -55.09 39.39 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.976 0.417 . . . . 0.79 110.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -52.77 -33.59 42.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.872 -0.68 . . . . 0.35 111.962 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -65.39 -48.42 72.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.67 -0.122 . . . . 1.01 110.67 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.05 -60.63 2.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 0.38 110.371 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.5 p -57.77 -48.29 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.529 -0.76 . . . . 1.07 111.498 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 2.55 111.025 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 21' ' ' VAL . 80.1 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.527 0.203 . . . . 1.87 110.648 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -50.26 -34.69 11.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.319 -0.4 . . . . 1.2 111.149 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.79 82.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 1.04 111.002 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.1 -34.75 73.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.049 -0.523 . . . . 2.51 110.296 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' ' 25' ' ' VAL . 97.4 t -54.83 -35.4 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.596 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.1 tm-20 -49.49 -56.89 8.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.172 -0.467 . . . . 2.37 110.383 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.73 81.73 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.229 0.538 . . . . 0.87 110.063 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.78 -30.21 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.438 -0.801 . . . . 1.32 110.25 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.483 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.7 t -69.05 -44.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 1.8 110.463 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.66 -22.38 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 2.13 110.556 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.2 -37.98 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.575 . . . . 1.16 112.171 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 25' ' ' VAL . 30.7 m -85.61 -17.79 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.841 0.682 . . . . 1.08 112.841 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.37 -10.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.807 0.299 . . . . 0.73 111.807 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.2 pttt -107.04 -46.65 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.823 0.305 . . . . 2.16 111.823 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -116.14 33.85 5.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.895 0.379 . . . . 1.69 111.511 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.59 179.79 51.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.4 112.705 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 9.2 p -145.83 -41.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 1.97 110.985 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.07 26.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.868 -0.682 . . . . 0.57 112.402 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.499 HH11 HD12 ' A' ' 55' ' ' LEU . 3.5 ptm180 44.66 28.0 0.3 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.725 0.41 . . . . 5.16 111.694 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -54.28 -42.59 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.051 0.453 . . . . 4.68 110.6 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -69.74 -29.37 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 4.06 110.553 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.3 m-20 -68.64 -55.9 9.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 2.19 110.394 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.561 ' HB ' HD11 ' A' ' 55' ' ' LEU . 11.6 p -59.78 -26.44 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.327 -0.397 . . . . 2.21 110.693 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HB3' HD23 ' A' ' 41' ' ' LEU . 50.7 mmtt -67.89 -53.15 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 2.67 111.38 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 40' ' ' LYS . 3.9 mm? -113.03 25.82 11.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.353 -0.385 . . . . 2.6 111.843 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' ASP . 51.8 t -49.94 -45.68 51.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.479 . . . . 1.82 110.161 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.68 26.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.257 -0.883 . . . . 1.36 111.089 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 t80 67.89 10.53 7.86 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.069 -1.086 . . . . 4.28 108.069 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.57 -49.06 8.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.523 -1.217 . . . . 2.1 111.213 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -107.9 25.29 11.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.83 110.929 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.22 -6.62 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 1.22 111.222 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.33 -4.14 16.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.256 -0.429 . . . . 2.33 110.854 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.6 m80 63.44 112.84 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.957 -0.565 . . . . 4.19 111.214 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -93.35 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 6.14 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.0 m -158.88 155.3 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.43 110.466 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -46.67 89.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.151 -0.22 . . . . 1.15 111.56 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.7 t -76.41 -42.61 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 121.107 -0.237 . . . . 1.18 111.001 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.538 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -57.32 -53.75 54.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.844 0.354 . . . . 0.65 110.353 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.561 HD11 ' HB ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -59.38 -35.44 73.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.26 -0.644 . . . . 2.36 109.26 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.7 tppp? -67.69 -28.77 67.97 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.659 -0.7 . . . . 3.49 110.027 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 42.4 m-20 -68.26 -42.53 79.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.008 -0.542 . . . . 2.04 109.908 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.3 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.118 -0.492 . . . . 2.81 109.749 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -70.83 -46.26 63.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.58 -0.736 . . . . 0.64 109.949 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -60.57 -31.64 70.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.79 -0.641 . . . . 1.68 110.421 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -85.09 -25.87 27.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.451 0.643 . . . . 1.52 109.567 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tp -63.94 -34.32 77.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.904 -1.044 . . . . 1.85 110.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.1 m -89.33 -42.21 14.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.945 -0.571 . . . . 1.14 110.453 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.502 ' HB2' HD11 ' A' ' 82' ' ' LEU . 21.5 t60 -54.89 -38.23 67.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.523 . . . . 1.77 110.854 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -82.1 -19.36 40.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 1.86 111.36 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.33 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 1.34 111.348 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 pttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 3.75 111.202 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.038 0.447 . . . . 3.95 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -49.45 -33.93 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.676 -0.693 . . . . 2.78 111.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -66.85 -60.15 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.344 -0.389 . . . . 2.0 111.042 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.94 -26.06 65.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.39 111.108 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -70.98 -51.05 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.78 110.966 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -71.96 -20.25 61.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 2.48 111.205 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.6 t -76.81 -61.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.509 -0.314 . . . . 1.44 111.119 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.22 -27.19 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.532 -0.303 . . . . 1.88 110.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -73.77 -57.14 4.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 1.76 110.558 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.15 75.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 1.15 111.003 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.47 -55.12 34.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.161 0.505 . . . . 0.79 110.212 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.0 -31.32 58.57 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.654 -0.703 . . . . 0.35 111.736 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -66.07 -46.4 77.86 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 110.515 -0.179 . . . . 1.01 110.515 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.433 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 22.6 m0 -55.94 -58.56 7.38 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.119 0.485 . . . . 0.38 110.019 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -56.96 -50.69 71.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.697 . . . . 1.07 111.19 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 2.55 110.665 179.682 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.585 0.231 . . . . 1.87 110.613 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -50.21 -27.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 1.2 111.274 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.69 -58.2 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 1.04 111.097 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.92 -35.13 77.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.51 110.708 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG23 ' SG ' ' A' ' 42' ' ' CYS . 87.5 t -55.14 -29.45 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.694 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.11 -57.54 10.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 2.37 110.49 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.87 110.259 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.68 -28.38 65.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 1.32 110.168 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 28' ' ' VAL . 4.0 t -75.23 -39.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.758 -0.655 . . . . 1.8 110.522 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tm0? -65.37 -21.8 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 2.13 110.22 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.9 -36.72 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 1.16 112.054 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.5 m -85.68 -18.12 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 112.764 0.653 . . . . 1.08 112.764 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -9.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.956 0.354 . . . . 0.73 111.956 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HG3' HD21 ' A' ' 31' ' ' LEU . 19.3 ptpt -104.25 -42.03 5.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.0 0.37 . . . . 2.16 112.0 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD21 ' HG3' ' A' ' 30' ' ' LYS . 2.5 pt? -121.52 29.31 7.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.993 0.425 . . . . 1.69 111.485 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -78.3 -168.59 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.759 -0.734 . . . . 0.4 112.953 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 m -152.33 -44.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 1.97 110.846 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.13 22.54 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.951 -0.642 . . . . 0.57 112.771 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 7.0 ptm180 44.97 25.67 0.17 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 122.78 0.432 . . . . 5.16 111.737 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -57.14 -47.44 81.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 4.68 110.365 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -72.08 -28.82 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.757 -0.656 . . . . 4.06 110.879 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.3 m-20 -66.55 -59.98 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 2.19 110.462 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' A' ' 46' ' ' ASP . 35.1 m -59.14 -28.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 2.21 110.464 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HG2' ' HE2' ' A' ' 49' ' ' HIS . 4.6 mmtm -61.9 -50.42 72.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 2.67 111.056 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.25 24.28 12.45 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.564 -0.289 . . . . 2.6 111.639 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 21' ' ' VAL . 32.9 t -57.46 -48.27 79.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.087 0.47 . . . . 1.82 110.017 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.47 29.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.253 -0.885 . . . . 1.36 110.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 65.89 20.46 11.37 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.7 -1.222 . . . . 4.28 107.7 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.26 -54.85 4.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.088 -1.415 . . . . 2.1 111.269 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.498 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 10.1 m-20 -114.94 20.48 15.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.956 -0.566 . . . . 0.83 110.693 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -5.8 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 1.22 111.467 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.76 -16.97 14.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.555 -0.293 . . . . 2.33 111.045 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.526 ' HE2' ' HG2' ' A' ' 40' ' ' LYS . 38.0 m-70 61.17 105.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.444 . . . . 4.19 111.001 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -85.7 -56.7 3.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 6.14 111.392 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 16.8 m -156.3 156.78 34.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.441 -0.345 . . . . 1.43 110.79 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -44.89 96.22 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.815 -0.175 . . . . 1.15 111.426 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.3 t -75.98 -41.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 1.18 110.562 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m-20 -56.99 -43.02 81.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.093 0.473 . . . . 0.65 109.859 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.81 -40.46 95.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.191 -0.67 . . . . 2.36 109.191 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.471 -0.786 . . . . 3.49 109.978 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.84 -38.06 62.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.002 -0.544 . . . . 2.04 110.038 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -66.28 -33.27 75.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 2.81 109.849 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -75.15 -49.13 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.739 . . . . 0.64 109.916 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -59.36 -38.76 81.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.458 -0.792 . . . . 1.68 110.884 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m -75.94 -27.3 57.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 1.52 110.28 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -38.94 92.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.768 -0.651 . . . . 1.85 110.199 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.8 m -83.4 -42.22 17.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.309 -0.405 . . . . 1.14 110.552 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.55 ' HB2' HD11 ' A' ' 82' ' ' LEU . 6.9 t60 -55.06 -40.77 70.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.039 -0.528 . . . . 1.77 110.92 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.09 -18.79 45.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 1.86 111.442 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.51 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.384 -0.371 . . . . 1.34 111.28 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 3.75 111.223 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.829 0.347 . . . . 3.95 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -50.29 -38.16 39.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 2.78 111.765 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -66.81 -60.05 3.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.414 -0.357 . . . . 2.0 110.998 -179.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.16 -24.53 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 1.39 111.011 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.54 -51.04 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 1.78 110.829 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.75 -20.03 61.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 2.48 111.065 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 42.5 t -74.98 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.44 111.095 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.46 -25.88 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 1.88 110.872 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.73 -51.61 18.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.976 0.417 . . . . 1.76 110.512 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.35 82.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.79 -0.641 . . . . 1.15 111.263 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.427 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 49.9 t60 -60.06 -55.64 31.5 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.033 0.444 . . . . 0.79 110.421 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.55 -33.17 62.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.736 -0.745 . . . . 0.35 111.737 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.05 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 1.01 110.727 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.427 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 20.0 m0 -59.87 -58.56 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.074 0.464 . . . . 0.38 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -63.81 -34.13 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.663 -0.699 . . . . 1.07 112.815 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 112.021 0.378 . . . . 2.55 112.021 -179.002 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 21' ' ' VAL . 38.4 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.693 0.282 . . . . 1.87 110.714 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.06 -25.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 1.2 111.145 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.88 -57.98 10.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.128 -0.487 . . . . 1.04 110.807 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.47 -35.6 80.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 2.51 110.258 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 17' ' ' SER . 70.2 t -57.17 -25.52 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.878 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.41 -53.83 51.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.059 0.457 . . . . 2.37 110.554 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.894 -0.594 . . . . 0.87 110.612 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.4 tp -55.53 -52.57 63.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 1.32 110.978 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.574 ' HA ' HG21 ' A' ' 28' ' ' VAL . 33.8 m -65.76 -28.62 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 1.8 110.853 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.48 -22.03 64.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.199 0.523 . . . . 2.13 109.881 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.35 -32.7 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.685 -0.689 . . . . 1.16 111.696 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.574 HG21 ' HA ' ' A' ' 25' ' ' VAL . 13.0 m -85.99 -18.57 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 112.767 0.655 . . . . 1.08 112.767 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.53 -10.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.978 0.362 . . . . 0.73 111.978 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 55.6 pttt -100.83 -42.77 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.936 0.347 . . . . 2.16 111.936 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.586 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -124.86 31.97 5.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 1.69 111.587 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -80.55 -165.45 32.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.827 -0.701 . . . . 0.4 112.734 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.3 m -149.79 -44.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.651 0.262 . . . . 1.97 111.03 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.417 ' HA2' HH21 ' A' ' 35' ' ' ARG . . . -162.71 17.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.585 -0.817 . . . . 0.57 112.773 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER 47.51 17.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.982 0.42 . . . . 5.16 111.574 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -58.29 -47.21 84.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 4.68 111.336 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -62.98 -34.04 76.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 4.06 111.236 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.42 -61.26 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 2.19 110.905 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.452 HG11 ' HG ' ' A' ' 55' ' ' LEU . 18.9 t -58.35 -26.15 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 2.21 111.077 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HB3' HD11 ' A' ' 41' ' ' LEU . 81.8 mttt -67.3 -45.75 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 2.67 110.77 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD11 ' HB3' ' A' ' 40' ' ' LYS . 7.6 mp -112.28 24.89 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 2.6 111.078 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.9 t -55.91 -45.51 78.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 1.82 110.398 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -178.13 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 1.36 110.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 66.17 14.8 9.82 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.456 -0.942 . . . . 4.28 108.456 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.31 -44.84 12.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.716 -1.129 . . . . 2.1 111.199 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -119.74 26.42 9.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.83 110.817 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.0 0.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 1.22 111.54 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.09 -9.1 12.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.516 -0.311 . . . . 2.33 110.981 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m80 63.6 113.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.095 -0.502 . . . . 4.19 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HE ' ' HB3' ' A' ' 54' ' ' ASP . 57.6 ttp180 -90.84 -57.75 2.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 6.14 111.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 12.2 m -157.24 158.82 36.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.516 -0.311 . . . . 1.43 110.624 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -46.62 87.18 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 111.576 0.213 . . . . 1.15 111.576 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.6 t -76.86 -40.95 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.997 -0.281 . . . . 1.18 110.648 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.489 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.4 m-20 -56.94 -44.94 83.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.042 0.449 . . . . 0.65 109.836 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' HG ' HG11 ' A' ' 39' ' ' VAL . 6.9 tt -64.62 -36.25 83.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.024 -0.732 . . . . 2.36 109.024 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -68.04 -26.32 65.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.352 -0.84 . . . . 3.49 110.066 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -73.77 -38.9 64.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.917 -0.583 . . . . 2.04 110.463 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -65.84 -34.39 78.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 2.81 110.175 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.491 ' HA ' HD21 ' A' ' 62' ' ' LEU . 2.1 t-105 -74.84 -50.46 17.02 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.823 -0.626 . . . . 0.64 110.018 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.423 ' HG3' HD21 ' A' ' 83' ' ' LEU . 10.3 tmtt? -57.01 -40.91 77.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.744 -0.662 . . . . 1.68 110.971 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.5 m -72.28 -30.96 65.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.021 -0.536 . . . . 1.52 111.297 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -66.93 -31.23 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 1.85 110.86 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -89.19 -40.93 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 1.14 111.12 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.461 ' HB2' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -63.18 -33.35 75.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.334 . . . . 1.77 110.287 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.5 t -79.38 -17.54 54.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.86 111.369 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 1.34 111.248 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 3.75 111.339 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 121.043 0.449 . . . . 3.95 110.818 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -42.23 -37.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.208 -0.906 . . . . 2.78 112.351 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.461 HD13 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -68.06 -59.81 2.97 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.686 0.279 . . . . 2.0 110.958 -179.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.423 HD21 ' HG3' ' A' ' 60' ' ' LYS . 56.6 mt -59.38 -24.56 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 1.39 111.004 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -71.33 -50.21 34.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 1.78 110.881 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -71.35 -19.9 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 2.48 110.818 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.3 t -75.67 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 1.44 111.111 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.02 -25.34 66.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.41 -0.359 . . . . 1.88 110.668 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -72.15 -48.93 39.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 1.76 110.228 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.77 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 1.15 110.876 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.445 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 69.0 t60 -61.96 -55.67 27.04 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.061 0.458 . . . . 0.79 110.341 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.04 59.33 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.714 -0.755 . . . . 0.35 111.706 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -65.73 -49.87 66.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.656 -0.128 . . . . 1.01 110.656 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.445 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 9.5 m0 -56.95 -56.51 20.73 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.226 0.536 . . . . 0.38 110.099 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.4 p -55.44 -41.02 72.29 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.586 -0.733 . . . . 1.07 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 2.55 110.457 179.567 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 21' ' ' VAL . 80.2 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.579 0.228 . . . . 1.87 110.507 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.17 -29.65 12.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.917 0.389 . . . . 1.2 111.191 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -50.93 72.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.464 . . . . 1.04 110.906 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.38 -35.66 78.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 2.51 110.381 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 17' ' ' SER . 93.9 t -55.99 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.573 . . . . 1.0 110.613 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.36 -55.34 19.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.231 -0.44 . . . . 2.37 110.494 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.43 99.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.87 110.143 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.14 -25.41 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.709 -0.678 . . . . 1.32 110.138 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' HA ' HG23 ' A' ' 28' ' ' VAL . 10.6 t -76.88 -39.94 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 1.8 110.59 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.41 -21.51 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 2.13 110.346 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.85 -37.81 16.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 1.16 112.05 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.485 HG23 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.64 -17.96 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 112.857 0.688 . . . . 1.08 112.857 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.34 -10.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.913 0.338 . . . . 0.73 111.913 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -107.41 -46.76 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.866 0.321 . . . . 2.16 111.866 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.542 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -113.44 32.36 5.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.759 0.314 . . . . 1.69 111.444 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.8 -172.39 48.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.4 112.702 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 11.8 p -143.87 -42.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 1.97 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.08 24.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.008 -0.615 . . . . 0.57 112.438 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.439 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 5.5 ptm180 45.36 27.4 0.36 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.714 0.405 . . . . 5.16 111.572 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -56.48 -45.92 80.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.133 0.492 . . . . 4.68 110.479 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.446 HH21 HG12 ' A' ' 28' ' ' VAL . 24.8 ptt180 -71.76 -33.38 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 4.06 110.998 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.5 m-20 -65.97 -56.53 11.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 2.19 110.653 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.55 HG23 HD11 ' A' ' 55' ' ' LEU . 13.0 p -58.74 -31.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 2.21 111.072 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HD3' ' HE2' ' A' ' 49' ' ' HIS . 21.2 mmmt -65.29 -45.69 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 2.67 111.34 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.59 25.18 11.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.482 -0.327 . . . . 2.6 111.425 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.37 -45.18 80.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 1.82 110.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB1' ' HG2' ' A' ' 45' ' ' GLU . . . -179.45 25.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.641 -0.709 . . . . 1.36 111.207 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 t80 67.59 14.37 9.53 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.186 -1.042 . . . . 4.28 108.186 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HG2' ' HB1' ' A' ' 43' ' ' ALA . 15.8 mm-40 -85.03 -51.18 6.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.558 -1.201 . . . . 2.1 110.975 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.88 29.91 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.996 0.426 . . . . 0.83 110.637 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -1.68 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 1.22 111.705 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -118.31 5.14 11.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.64 -0.255 . . . . 2.33 111.036 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' HE2' ' HD3' ' A' ' 40' ' ' LYS . 77.3 m-70 63.17 118.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.125 -0.489 . . . . 4.19 111.12 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -101.97 -68.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 6.14 111.321 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -156.24 158.62 37.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.298 -0.41 . . . . 1.43 110.55 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -46.68 82.73 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.576 0.213 . . . . 1.15 111.576 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.4 t -73.6 -38.38 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.968 -0.293 . . . . 1.18 110.518 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -62.28 -43.11 99.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.65 109.726 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.55 HD11 HG23 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.87 -38.83 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.551 -0.75 . . . . 2.36 109.244 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HA ' ' HB3' ' A' ' 59' ' ' TRP . 39.2 mmtt -79.81 -14.02 58.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.64 -0.709 . . . . 3.49 110.365 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.6 -43.03 70.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.825 -0.806 . . . . 2.04 108.825 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -78.66 -28.06 45.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.017 -0.992 . . . . 2.81 110.581 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 56' ' ' LYS . 2.6 t-105 -73.97 -53.43 10.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.107 0.48 . . . . 0.64 109.725 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -58.64 -39.26 80.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.68 110.73 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.9 m -72.16 -30.28 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.127 0.489 . . . . 1.52 110.432 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -35.41 80.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.634 -0.712 . . . . 1.85 110.701 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.8 m -88.74 -37.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.478 -0.328 . . . . 1.14 111.075 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.514 ' HD1' HD22 ' A' ' 82' ' ' LEU . 51.3 t60 -63.22 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.77 111.014 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -85.24 -17.04 38.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 1.86 111.146 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.91 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 1.34 111.504 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.51 -0.314 . . . . 3.75 111.267 -179.804 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 121.531 0.682 . . . . 3.95 110.465 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -41.21 -40.78 1.67 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.303 -1.317 . . . . 2.78 112.921 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.514 HD22 ' HD1' ' A' ' 64' ' ' HIS . 0.1 OUTLIER -57.78 -60.73 3.26 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.779 -0.368 . . . . 2.0 111.56 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.75 -24.65 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 1.39 111.133 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.28 -48.1 62.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 1.78 111.242 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.46 -23.51 60.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 2.48 111.281 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.2 t -72.99 -58.51 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.561 -0.29 . . . . 1.44 111.211 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.88 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -72.16 -50.99 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 1.76 110.619 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.97 -44.75 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.15 111.232 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.473 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 45.8 t60 -62.13 -55.92 23.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.207 0.527 . . . . 0.79 110.328 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.21 -25.08 61.9 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.35 111.646 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -67.15 -50.69 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.56 -0.163 . . . . 1.01 110.56 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.462 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 7.4 m0 -57.23 -56.03 27.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.233 0.54 . . . . 0.38 110.131 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -55.07 -39.4 69.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.578 -0.737 . . . . 1.07 111.038 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 2.55 110.539 179.521 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 21' ' ' VAL . 80.1 p . . . . . 0 CA--C 1.523 -0.063 0 CA-C-O 120.592 0.234 . . . . 1.87 110.448 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.95 -35.4 22.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 1.2 110.92 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 22' ' ' GLU . . . -56.7 -37.92 71.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.957 -0.565 . . . . 1.04 110.518 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.76 -25.89 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 2.51 110.123 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 25' ' ' VAL . 44.3 t -58.12 -35.17 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.912 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 23' ' ' ALA . 11.8 pt-20 -49.1 -49.61 41.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.018 0.437 . . . . 2.37 110.127 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 22' ' ' GLU . . . -63.43 -42.08 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 0.87 109.692 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.9 -28.53 66.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.688 -0.687 . . . . 1.32 110.099 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.452 ' HA ' HG23 ' A' ' 28' ' ' VAL . 76.6 t -72.8 -41.33 61.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.014 -0.539 . . . . 1.8 110.288 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.83 -20.14 65.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.97 -0.559 . . . . 2.13 110.44 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . . . -88.1 -39.02 14.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 1.16 111.938 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 25' ' ' VAL . 32.9 m -85.69 -17.81 9.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 112.807 0.669 . . . . 1.08 112.807 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -54.43 -15.81 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.853 0.316 . . . . 0.73 111.853 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 27' ' ' ALA . 18.5 pttm -105.25 -47.9 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.778 0.288 . . . . 2.16 111.778 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -104.71 28.24 7.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.79 0.329 . . . . 1.69 111.428 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.33 173.18 20.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.815 -0.707 . . . . 0.4 112.762 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.7 m -154.55 -35.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.322 . . . . 1.97 111.175 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.37 30.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.57 112.463 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HE ' HD13 ' A' ' 55' ' ' LEU . 0.1 OUTLIER 45.48 25.23 0.22 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.77 0.428 . . . . 5.16 111.633 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -59.4 -48.87 79.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.955 0.407 . . . . 4.68 110.284 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.48 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 4.06 110.314 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' CYS . 11.1 t70 -65.83 -63.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.598 -0.728 . . . . 2.19 110.718 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -52.72 -27.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 2.21 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -69.15 -54.85 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 2.67 111.67 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -113.85 25.94 10.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.001 0.371 . . . . 2.6 112.001 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASP . 52.0 t -50.47 -45.89 56.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.128 0.489 . . . . 1.82 109.921 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 176.73 26.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.159 -0.928 . . . . 1.36 110.975 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.7 t80 67.04 10.93 8.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.827 -1.175 . . . . 4.28 107.827 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -85.96 -48.49 8.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.489 -1.232 . . . . 2.1 111.329 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.12 24.67 12.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.83 110.982 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.39 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 1.22 111.107 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -107.31 -8.06 16.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 2.33 110.786 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 63.74 110.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 4.19 111.04 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -93.98 -66.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 6.14 111.137 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 15.0 m -153.57 154.21 33.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.43 110.744 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -45.76 93.19 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.829 0.307 . . . . 1.15 111.829 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.1 t -77.3 -43.65 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.005 -0.278 . . . . 1.18 110.956 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.513 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -55.14 -50.27 69.71 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.03 0.443 . . . . 0.65 110.09 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.424 HD13 ' HE ' ' A' ' 35' ' ' ARG . 3.0 tm? -62.31 -37.46 85.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.285 -0.635 . . . . 2.36 109.285 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -66.23 -25.71 67.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.801 -0.636 . . . . 3.49 110.059 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 48.7 m-20 -72.48 -39.41 67.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.982 -0.554 . . . . 2.04 110.243 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.08 -33.56 76.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 2.81 110.196 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -75.54 -45.53 37.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.612 -0.722 . . . . 0.64 110.379 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -63.29 -33.94 76.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 1.68 111.075 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.642 ' HA ' ' ND1' ' A' ' 64' ' ' HIS . 15.0 t -79.85 -28.07 40.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.504 . . . . 1.52 110.481 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.55 -0.75 . . . . 1.85 110.538 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.78 -36.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 1.14 112.181 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.642 ' ND1' ' HA ' ' A' ' 61' ' ' THR . 0.5 OUTLIER -75.95 -32.53 59.58 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.667 -0.413 . . . . 1.77 110.689 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.3 m -78.87 -17.22 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 1.86 110.375 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.54 -72.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 1.34 111.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.623 ' HB2' ' HZ1' ' A' ' 67' ' ' LYS . 3.7 ttmp? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 3.75 111.392 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.582 0.23 . . . . 3.95 111.544 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 82' ' ' LEU . 12.3 pt-20 -48.79 -54.04 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 2.78 111.516 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -50.59 -57.45 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 2.0 111.446 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.07 -34.12 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 1.39 111.203 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -65.56 -50.7 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.78 111.195 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -71.14 -20.31 62.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 2.48 111.019 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 82' ' ' LEU . 27.0 t -70.99 -61.75 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.305 -0.407 . . . . 1.44 110.643 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.09 -25.11 67.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 1.88 110.378 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.38 -48.74 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.135 0.493 . . . . 1.76 110.051 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.7 98.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.58 -0.737 . . . . 1.15 110.893 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.63 -55.66 28.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.954 0.407 . . . . 0.79 110.311 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.74 -33.71 55.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.647 -0.787 . . . . 0.35 111.666 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.533 -0.173 . . . . 1.01 110.533 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -55.93 -57.94 10.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.14 0.495 . . . . 0.38 110.32 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.9 p -58.12 -33.95 69.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.525 -0.761 . . . . 1.07 111.668 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 2.55 111.026 -179.796 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.555 0.217 . . . . 1.87 110.597 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.39 -31.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.896 0.379 . . . . 1.2 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.48 -48.97 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 1.04 110.466 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -35.5 81.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.704 -0.68 . . . . 2.51 110.37 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.56 -32.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.561 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 40.2 tt0 -49.66 -57.28 7.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 2.37 110.412 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.11 94.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.87 110.036 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.56 -26.3 65.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.75 -0.659 . . . . 1.32 110.276 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.484 ' HA ' HG21 ' A' ' 28' ' ' VAL . 25.2 t -75.99 -40.33 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.94 -0.573 . . . . 1.8 110.377 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.02 -21.49 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 2.13 110.424 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.77 -37.53 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.917 -0.583 . . . . 1.16 112.098 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.484 HG21 ' HA ' ' A' ' 25' ' ' VAL . 33.5 m -85.66 -18.29 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 112.729 0.64 . . . . 1.08 112.729 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.51 -10.33 2.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.901 0.334 . . . . 0.73 111.901 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -106.14 -47.69 3.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.77 0.285 . . . . 2.16 111.77 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.54 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -113.72 32.98 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 1.69 111.454 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.5 51.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.4 112.795 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.0 m -151.97 -40.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.781 0.324 . . . . 1.97 110.973 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.07 19.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.836 -0.697 . . . . 0.57 112.607 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 43.26 25.01 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.782 0.433 . . . . 5.16 111.386 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -59.14 -41.71 88.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 4.68 111.118 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.75 -33.08 71.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 4.06 110.517 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.9 m-20 -66.61 -53.97 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.91 -0.586 . . . . 2.19 110.968 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 55' ' ' LEU . 12.5 p -60.67 -30.79 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 2.21 111.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -66.79 -46.22 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 2.67 111.192 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.79 25.22 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 2.6 111.579 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' ASP . 41.6 t -52.3 -46.08 65.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.122 0.487 . . . . 1.82 109.905 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 179.93 24.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.32 -0.855 . . . . 1.36 111.046 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 t80 69.03 8.76 7.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 108.199 -1.037 . . . . 4.28 108.199 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.98 -51.49 6.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.566 -1.197 . . . . 2.1 111.228 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.05 25.94 8.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.83 110.996 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -8.75 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.22 111.043 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.87 -8.0 20.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 2.33 110.757 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m80 63.34 109.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 4.19 111.162 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -73.45 -76.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 6.14 110.959 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.504 HG23 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -158.06 175.95 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.272 -0.422 . . . . 1.43 110.483 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.504 ' H ' HG23 ' A' ' 51' ' ' THR . 0.7 OUTLIER -63.76 -47.47 80.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.647 0.24 . . . . 1.15 111.647 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.44 -39.1 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.837 -0.345 . . . . 1.18 110.693 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 -40.74 84.68 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.136 0.494 . . . . 0.65 109.913 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 39' ' ' VAL . 5.9 tt -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.64 -0.709 . . . . 2.36 109.604 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.529 ' HZ2' ' HB2' ' A' ' 90' ' ' HIS . 16.5 tppt? -68.34 -16.84 64.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 3.49 110.1 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.13 -48.83 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 2.04 109.99 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -63.07 -31.26 72.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 2.81 110.282 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -75.4 -48.18 24.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.737 -0.665 . . . . 0.64 110.226 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.56 ' HD2' HD13 ' A' ' 82' ' ' LEU . 1.6 ttpm? -55.74 -40.39 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.731 -0.668 . . . . 1.68 110.387 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.1 m -77.15 -25.24 51.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.712 -0.676 . . . . 1.52 110.364 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.73 97.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 1.85 110.205 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.1 m -83.98 -43.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 1.14 110.697 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -50.22 -53.6 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.045 -0.525 . . . . 1.77 110.673 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -57.39 -27.46 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 1.86 111.704 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.96 -88.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.619 -0.264 . . . . 1.34 111.233 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt . . . . . 0 N--CA 1.462 0.151 0 CA-C-N 116.715 -0.22 . . . . 3.75 111.377 -179.863 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.752 0.311 . . . . 3.95 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.14 -47.46 62.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.913 -0.585 . . . . 2.78 111.643 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.56 HD13 ' HD2' ' A' ' 60' ' ' LYS . 1.1 pp -58.38 -36.35 73.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.623 -0.262 . . . . 2.0 111.573 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.4 mt -77.64 -29.09 51.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 1.39 111.205 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -71.15 -50.42 33.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.409 . . . . 1.78 111.379 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.68 -31.26 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.399 -0.364 . . . . 2.48 111.811 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 60' ' ' LYS . 5.0 t -70.18 -57.2 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.655 0.264 . . . . 1.44 111.178 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.84 -30.61 67.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.955 0.407 . . . . 1.88 110.276 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -73.55 -41.33 63.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 1.76 110.217 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.41 21.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.606 -0.725 . . . . 1.15 110.924 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.529 ' HB2' ' HZ2' ' A' ' 56' ' ' LYS . 59.9 t60 -58.94 -51.41 70.17 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.243 0.544 . . . . 0.79 110.189 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.77 -30.95 57.56 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.386 -0.824 . . . . 0.35 111.833 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.85 -40.16 83.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.682 0.277 . . . . 1.01 110.294 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -58.72 -55.97 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.38 110.51 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -67.22 -48.52 67.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.77 -0.65 . . . . 1.07 112.216 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 C--N 1.328 -0.341 0 N-CA-C 112.147 0.425 . . . . 2.55 112.147 -178.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 21' ' ' VAL . 42.7 t . . . . . 0 N--CA 1.457 -0.094 0 N-CA-C 110.339 -0.245 . . . . 1.87 110.339 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.413 ' N ' ' HG ' ' A' ' 17' ' ' SER . 8.3 p -46.13 -35.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.795 0.331 . . . . 1.2 111.485 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.85 84.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 1.04 110.842 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.35 -33.74 69.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 2.51 110.402 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 25' ' ' VAL . 65.2 t -56.21 -34.74 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.608 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.49 -54.9 22.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.229 -0.441 . . . . 2.37 110.309 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.27 83.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.87 110.212 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.09 -31.22 66.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.654 -0.703 . . . . 1.32 110.427 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.457 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.6 t -69.32 -42.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 1.8 110.377 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -66.78 -20.37 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 2.13 110.437 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.09 -36.06 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 1.16 112.002 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.6 m -85.99 -18.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 112.794 0.664 . . . . 1.08 112.794 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -57.83 -10.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.01 0.374 . . . . 0.73 112.01 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 56.5 pttt -100.7 -47.76 4.73 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.863 0.32 . . . . 2.16 111.863 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.585 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -118.6 32.56 6.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.774 0.321 . . . . 1.69 111.498 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.8 -179.51 28.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.79 -0.719 . . . . 0.4 112.756 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.5 m -151.22 -37.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.303 . . . . 1.97 110.829 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 176.91 28.49 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.57 112.474 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 44.39 28.94 0.34 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.709 0.29 . . . . 5.16 111.495 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -64.54 -48.91 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 4.68 110.194 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -26.51 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 4.06 110.726 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -57.22 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 2.19 110.241 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.609 HG23 HD13 ' A' ' 55' ' ' LEU . 32.7 m -61.36 -27.22 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.117 -0.492 . . . . 2.21 110.448 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.52 -51.75 61.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.793 -0.64 . . . . 2.67 111.362 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.7 mt -113.25 25.02 11.7 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.133 0.42 . . . . 2.6 112.133 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.8 p -57.9 -45.81 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.706 -0.479 . . . . 1.82 109.706 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.43 27.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.28 -0.873 . . . . 1.36 110.715 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.1 t80 66.77 17.63 10.59 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.449 -1.315 . . . . 4.28 107.449 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.38 -54.66 4.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.043 -1.435 . . . . 2.1 111.164 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -97.99 17.05 19.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.83 110.777 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -5.96 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 1.22 111.429 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -95.4 -25.78 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.546 -0.297 . . . . 2.33 110.569 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 55.34 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.864 -0.607 . . . . 4.19 111.324 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -71.28 -83.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 6.14 111.036 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -147.17 179.94 7.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.417 -0.356 . . . . 1.43 110.737 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -46.18 91.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.056 0.391 . . . . 1.15 112.056 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.486 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 93.2 t -79.85 -40.36 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.037 -0.265 . . . . 1.18 111.407 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.984 0.421 . . . . 0.65 110.437 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.609 HD13 HG23 ' A' ' 39' ' ' VAL . 9.7 tt -65.7 -51.64 57.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 2.36 110.112 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -63.72 -20.87 66.08 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 3.49 109.955 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -50.92 51.64 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.535 -0.543 . . . . 2.04 109.535 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -61.37 -25.65 67.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.597 -0.729 . . . . 2.81 109.702 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -76.91 -47.48 20.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.522 -0.763 . . . . 0.64 109.993 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.496 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 1.4 ttpm? -58.59 -33.62 70.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 1.68 110.51 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 64' ' ' HIS . 42.3 m -82.71 -26.59 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.623 . . . . 1.52 109.778 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.18 -35.48 80.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 1.85 109.948 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -89.46 -42.97 14.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 1.14 110.37 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.526 ' HB2' HD12 ' A' ' 82' ' ' LEU . 14.1 t60 -53.26 -35.77 60.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.959 -0.564 . . . . 1.77 110.919 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -88.58 -17.32 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 1.86 111.401 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.05 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 1.34 111.603 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.604 ' HZ2' ' HB2' ' A' ' 67' ' ' LYS . 3.6 ttmp? . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.985 0.421 . . . . 3.75 110.971 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.882 0.372 . . . . 3.95 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -48.3 -35.6 12.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 2.78 111.614 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -65.09 -59.92 3.6 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.385 -0.371 . . . . 2.0 110.605 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.89 -36.36 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 1.39 110.902 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.65 -51.5 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.91 -0.586 . . . . 1.78 111.427 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.71 -20.02 64.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.639 -0.255 . . . . 2.48 111.603 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.457 HG21 ' HG3' ' A' ' 60' ' ' LYS . 53.2 t -75.46 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.648 0.261 . . . . 1.44 111.301 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.51 -24.64 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 1.88 111.246 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -76.83 -55.75 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 1.76 110.694 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.53 85.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 1.15 110.931 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.441 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 60.7 t60 -58.66 -55.69 31.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.209 0.528 . . . . 0.79 110.378 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -31.89 61.6 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.741 -0.742 . . . . 0.35 111.846 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -67.57 -42.41 82.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.607 0.242 . . . . 1.01 110.675 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.441 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 26.7 m0 -58.0 -54.08 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.415 . . . . 0.38 110.299 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 p -67.11 -49.76 63.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.616 . . . . 1.07 111.963 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 2.55 111.705 -179.248 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 110.461 -0.2 . . . . 2.1 110.461 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.98 -32.61 15.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.897 0.379 . . . . 1.36 110.856 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.53 73.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.065 -0.516 . . . . 1.03 110.484 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.73 -35.63 81.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 2.03 110.222 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' HG21 ' A' ' 25' ' ' VAL . 92.0 t -56.05 -33.57 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.87 -0.604 . . . . 1.7 110.502 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.4 tm-20 -50.45 -53.73 27.46 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.186 -0.461 . . . . 2.29 110.16 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.73 96.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.86 110.006 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.04 -27.49 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.669 -0.696 . . . . 1.25 110.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' HA ' HG22 ' A' ' 28' ' ' VAL . 40.4 t -73.44 -42.76 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 2.65 110.444 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.88 -21.66 66.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 3.01 110.537 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.6 -35.8 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.17 112.099 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.9 m -85.96 -18.49 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.601 0.593 . . . . 1.12 112.601 -178.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.24 -10.15 14.43 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.932 0.345 . . . . 1.13 111.932 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -104.01 -45.39 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.181 0.437 . . . . 1.93 112.181 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.571 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.1 pp -122.24 32.14 5.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.878 0.325 . . . . 1.36 111.878 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.96 -173.58 48.85 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.656 -0.783 . . . . 0.43 112.76 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.499 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.2 m -141.17 -38.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.015 0.436 . . . . 1.9 110.646 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . -174.82 25.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.65 112.22 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.496 HH11 HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER 40.87 27.52 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.115 0.566 . . . . 4.95 111.817 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.424 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 34.9 m95 -58.25 -44.28 88.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 5.59 110.317 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -68.72 -23.91 64.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.78 -0.645 . . . . 3.89 110.63 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 3.4 m-20 -73.8 -52.03 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.78 110.94 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.468 HG12 HD11 ' A' ' 55' ' ' LEU . 13.9 p -64.53 -30.58 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 2.65 111.333 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.494 ' HB3' HD12 ' A' ' 41' ' ' LEU . 14.3 mptt -73.11 -41.85 63.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.465 -0.334 . . . . 3.75 111.236 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 40' ' ' LYS . 7.9 mp -112.77 24.74 12.11 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.877 0.325 . . . . 3.0 111.877 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.55 -46.05 84.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 2.23 109.916 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -176.73 25.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 1.43 110.846 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 66.77 11.98 8.58 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.559 -0.904 . . . . 4.2 108.559 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -85.91 -51.8 6.14 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.613 -1.176 . . . . 2.12 111.389 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -105.76 24.24 12.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 1.46 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.71 -7.16 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.12 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.79 -0.04 57.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.986 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 37.81 94.23 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.602 0.564 . . . . 6.0 112.171 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.71 -69.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 6.69 111.098 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -160.0 178.6 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 1.46 110.611 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.51 ' H ' HG22 ' A' ' 51' ' ' THR . 0.9 OUTLIER -63.59 -48.04 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.083 -0.247 . . . . 0.83 111.589 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.2 t -79.78 -37.59 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.611 0.243 . . . . 1.2 110.841 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.51 -52.97 62.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.996 0.427 . . . . 0.71 110.519 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.496 HD12 HH11 ' A' ' 35' ' ' ARG . 0.4 OUTLIER -63.19 -37.73 88.4 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.571 -0.529 . . . . 2.22 109.571 179.218 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 tppt? -66.37 -26.74 67.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.998 -0.546 . . . . 3.96 109.9 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.23 -48.02 66.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.702 -0.681 . . . . 2.08 109.712 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -56.61 -37.04 70.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 3.47 109.738 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.51 -45.84 71.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.89 109.968 179.004 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 61' ' ' THR . 5.1 tmtt? -58.73 -33.33 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.539 -0.755 . . . . 2.31 110.726 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.407 ' N ' ' HD3' ' A' ' 60' ' ' LYS . 57.6 m -84.6 -27.09 27.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.281 0.562 . . . . 1.77 110.111 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -34.63 77.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.177 -0.92 . . . . 1.98 110.578 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.42 -31.81 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 1.07 111.198 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -69.73 -38.39 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 2.08 110.89 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.7 m -78.03 -17.35 57.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.086 -0.506 . . . . 2.4 111.028 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 1.24 111.409 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.531 -0.304 . . . . 3.93 111.344 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.801 0.334 . . . . 2.53 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -47.68 -38.06 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.806 -0.634 . . . . 1.84 111.609 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.541 HD11 ' N ' ' A' ' 83' ' ' LEU . 2.3 pp -60.67 -51.7 68.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.523 -0.308 . . . . 2.18 111.166 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.541 ' N ' HD11 ' A' ' 82' ' ' LEU . 16.9 mt -63.86 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 1.39 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -68.57 -47.26 67.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 2.04 111.512 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -75.37 -29.51 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 3.06 111.878 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.44 -52.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 1.22 111.232 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.39 -31.04 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 2.04 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.15 -57.81 4.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 1.85 110.821 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.14 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.952 -0.567 . . . . 1.04 111.156 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -61.42 -55.32 32.75 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.139 0.495 . . . . 2.09 110.39 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.14 -29.74 56.57 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.39 111.919 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -67.13 -47.12 72.06 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.526 -0.176 . . . . 1.08 110.526 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.499 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 18.5 m0 -55.95 -55.52 31.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.502 . . . . 0.49 110.14 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p -59.39 -48.89 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 1.12 110.958 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 2.88 110.449 179.596 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.591 0.234 . . . . 2.1 110.674 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.513 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.2 p -59.9 -25.99 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.142 0.496 . . . . 1.36 110.685 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.78 85.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.57 . . . . 1.03 110.402 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.06 -40.75 30.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.752 -0.658 . . . . 2.03 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 18' ' ' VAL . 2.8 p -61.29 -24.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.366 -0.379 . . . . 1.7 110.521 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HA ' HD13 ' A' ' 62' ' ' LEU . 36.8 tt0 -54.32 -49.1 70.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.378 0.608 . . . . 2.29 110.136 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.26 73.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.644 -0.707 . . . . 0.86 110.364 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.65 -42.96 93.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 1.25 111.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.557 ' HA ' HG23 ' A' ' 28' ' ' VAL . 32.2 m -73.75 -27.0 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 2.65 110.811 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -73.82 -21.27 60.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 3.01 110.046 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.5 -38.48 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.783 -0.644 . . . . 1.17 111.55 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.557 HG23 ' HA ' ' A' ' 25' ' ' VAL . 32.6 m -82.98 -18.06 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.363 -0.381 . . . . 1.12 111.974 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -22.94 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.672 0.272 . . . . 1.13 111.547 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 20.6 ptmt -96.91 -47.72 5.72 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.249 0.463 . . . . 1.93 112.249 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.521 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.5 pp -110.34 33.69 4.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.867 0.365 . . . . 1.36 111.567 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -76.33 -175.19 39.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.87 -0.681 . . . . 0.43 112.782 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 62.4 m -157.12 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 1.9 110.948 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' HG3' ' A' ' 35' ' ' ARG . . . -176.6 24.48 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.694 -0.765 . . . . 0.65 112.731 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' HG3' ' C ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 44.63 29.8 0.45 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.754 0.311 . . . . 4.95 111.361 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -62.59 -47.96 81.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.177 0.513 . . . . 5.59 110.258 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -65.05 -36.82 85.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.777 -0.647 . . . . 3.89 110.43 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' CYS . 8.3 m-20 -63.77 -63.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.78 110.846 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.469 HG23 HD13 ' A' ' 55' ' ' LEU . 9.0 p -50.1 -30.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.41 -0.359 . . . . 2.65 111.549 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -68.3 -54.31 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.471 -0.331 . . . . 3.75 111.756 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.6 26.04 10.73 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.143 0.423 . . . . 3.0 112.143 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' ASP . 41.4 t -51.63 -45.99 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 2.23 110.035 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.18 25.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.157 -0.929 . . . . 1.43 111.006 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.5 t80 67.41 11.18 8.25 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.98 -1.118 . . . . 4.2 107.98 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -85.76 -47.7 9.5 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.496 -1.229 . . . . 2.12 111.357 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.4 25.44 11.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.46 111.095 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.62 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.261 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -108.33 -8.9 15.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 2.25 110.937 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 62.63 110.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.051 -0.522 . . . . 6.0 111.045 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -95.9 -69.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 6.69 111.223 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 17.5 m -149.73 155.06 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 1.46 110.754 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -46.4 89.76 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 111.803 0.297 . . . . 0.83 111.803 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.0 t -75.5 -42.05 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.954 -0.299 . . . . 1.2 110.781 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.4 m-20 -55.82 -47.62 76.86 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.068 0.461 . . . . 0.71 109.889 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 HD13 HG23 ' A' ' 39' ' ' VAL . 18.5 tp -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.854 -0.612 . . . . 2.22 109.393 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HZ1' ' HD1' ' A' ' 90' ' ' HIS . 17.1 tppt? -69.32 -24.47 63.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.568 -0.742 . . . . 3.96 110.163 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.77 -43.21 63.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 2.08 110.349 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.85 -28.78 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 3.47 110.077 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -72.49 -49.27 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.674 -0.693 . . . . 0.89 110.174 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.443 ' HZ3' ' HG ' ' A' ' 83' ' ' LEU . 21.9 ptmt -68.5 -32.51 72.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.585 -0.734 . . . . 2.31 111.103 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.9 m -75.4 -25.29 57.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.47 0.653 . . . . 1.77 109.832 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -73.44 -36.34 65.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.146 -0.934 . . . . 1.98 110.224 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.62 -24.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 1.07 111.234 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.518 ' HD1' ' HB3' ' A' ' 82' ' ' LEU . 66.0 t60 -75.99 -42.67 47.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 2.08 110.685 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 m -74.08 -17.17 60.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 2.4 110.85 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.81 -71.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 1.24 111.439 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 3.93 111.312 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.979 0.418 . . . . 2.53 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.75 -58.19 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.58 -0.736 . . . . 1.84 112.343 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.518 ' HB3' ' HD1' ' A' ' 64' ' ' HIS . 2.0 pt? -56.94 -48.8 77.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.612 0.227 . . . . 2.18 111.612 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.443 ' HG ' ' HZ3' ' A' ' 60' ' ' LYS . 11.4 mt -57.87 -32.56 67.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.709 0.29 . . . . 1.39 111.488 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.11 -52.73 9.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 2.04 111.806 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.88 -21.27 64.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.88 0.326 . . . . 3.06 111.88 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -84.76 -60.44 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.686 -0.234 . . . . 1.22 111.615 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.64 -26.37 61.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.749 0.309 . . . . 2.04 110.842 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -72.87 -49.59 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 1.85 110.357 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' TYR . . . -57.74 -46.8 83.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.724 -0.671 . . . . 1.04 111.229 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.484 ' HD1' ' HZ1' ' A' ' 56' ' ' LYS . 67.7 t60 -60.71 -55.59 31.36 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.111 0.481 . . . . 2.09 110.343 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.34 -24.94 62.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.7 -0.762 . . . . 0.39 111.804 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' ' 89' ' ' ALA . 38.8 t80 -66.65 -50.86 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.654 -0.128 . . . . 1.08 110.654 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 5.6 m0 -58.44 -54.23 49.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.225 0.536 . . . . 0.49 109.967 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.7 p -54.72 -38.9 67.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.534 -0.757 . . . . 1.12 110.722 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 2.88 110.31 179.255 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.422 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 52.9 m . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.589 0.233 . . . . 2.1 110.556 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -51.19 -26.87 5.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.383 -0.372 . . . . 1.36 111.176 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.78 11.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.17 -0.468 . . . . 1.03 111.053 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.03 110.476 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 17' ' ' SER . 95.9 t -58.1 -27.22 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 1.7 110.82 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.22 -48.73 73.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 2.29 110.552 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.76 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.86 110.489 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.17 -49.54 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.698 -0.683 . . . . 1.25 110.711 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.582 ' HA ' HG21 ' A' ' 28' ' ' VAL . 28.2 m -67.67 -30.45 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 2.65 110.779 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -64.17 -23.88 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.297 0.57 . . . . 3.01 109.854 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.25 -33.03 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.473 -0.785 . . . . 1.17 111.877 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.582 HG21 ' HA ' ' A' ' 25' ' ' VAL . 5.5 m -85.81 -18.49 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.74 0.644 . . . . 1.12 112.74 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.87 -10.24 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.86 0.318 . . . . 1.13 111.86 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.7 pttt -106.76 -44.93 4.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.346 . . . . 1.93 111.933 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -123.96 35.57 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.878 0.37 . . . . 1.36 111.635 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.89 -172.52 44.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.791 -0.718 . . . . 0.43 112.91 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 12.0 p -136.91 -41.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 1.9 111.061 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.419 ' HA3' ' NE1' ' A' ' 36' ' ' TRP . . . -179.98 27.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.705 -0.759 . . . . 0.65 112.485 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 41.22 31.89 0.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.775 0.43 . . . . 4.95 111.738 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.419 ' NE1' ' HA3' ' A' ' 34' ' ' GLY . 48.4 m95 -66.92 -43.24 83.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.06 0.457 . . . . 5.59 110.403 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -70.06 -31.59 69.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 3.89 111.022 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.23 -55.64 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.78 110.712 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.517 HG11 HD13 ' A' ' 55' ' ' LEU . 8.7 p -59.77 -32.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.339 -0.391 . . . . 2.65 111.064 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HD3' ' HE2' ' A' ' 49' ' ' HIS . 26.3 mmmt -64.28 -45.38 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 3.75 111.37 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.08 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.574 -0.285 . . . . 3.0 111.602 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' HA ' HG22 ' A' ' 21' ' ' VAL . 51.9 t -54.64 -45.48 73.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.407 . . . . 2.23 110.228 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 17' ' ' SER . . . 179.18 25.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.43 111.006 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 67.52 12.36 8.85 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.991 -1.114 . . . . 4.2 107.991 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.67 -53.56 5.08 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.447 -1.251 . . . . 2.12 111.324 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -114.25 31.76 6.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 1.46 110.74 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -66.05 0.07 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.56 111.584 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.87 1.16 11.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.635 -0.257 . . . . 2.25 111.195 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.463 ' HE2' ' HD3' ' A' ' 40' ' ' LYS . 60.6 m-70 63.2 117.91 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.484 . . . . 6.0 111.101 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -91.91 -64.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 6.69 111.398 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.9 m -156.77 157.16 34.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.399 -0.364 . . . . 1.46 110.499 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -45.81 92.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.724 0.268 . . . . 0.83 111.724 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.4 t -77.25 -40.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 121.036 -0.266 . . . . 1.2 111.095 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.1 m-20 -60.25 -49.72 76.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.066 0.46 . . . . 0.71 109.945 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.517 HD13 HG11 ' A' ' 39' ' ' VAL . 6.8 tt -58.14 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.058 -0.719 . . . . 2.22 109.058 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.618 ' HZ1' HD12 ' A' ' 87' ' ' LEU . 5.6 tmmm? -67.02 -27.39 67.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 3.96 110.505 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.25 -48.5 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 2.08 110.583 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -62.86 -36.8 84.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.801 -0.636 . . . . 3.47 110.536 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.452 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -68.24 -44.2 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.82 -0.627 . . . . 0.89 110.54 179.559 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -62.58 -32.75 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 2.31 110.825 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -84.65 -26.84 27.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.628 0.728 . . . . 1.77 109.701 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 tp -64.89 -33.58 76.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.804 -1.089 . . . . 1.98 110.3 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.0 m -89.36 -45.22 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 1.07 110.384 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.499 ' HB2' HD12 ' A' ' 82' ' ' LEU . 45.1 t60 -52.82 -37.87 60.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.17 -0.468 . . . . 2.08 110.758 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.4 m -81.52 -22.43 37.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 2.4 111.227 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 1.24 111.461 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.48 -0.327 . . . . 3.93 111.006 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 . . . . . 0 N--CA 1.46 0.065 0 CA-C-O 120.959 0.409 . . . . 2.53 110.953 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -48.31 -36.14 13.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 1.84 111.832 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -63.15 -59.59 4.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 2.18 110.798 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.34 -35.53 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 1.39 110.983 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.8 -51.27 65.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 2.04 111.216 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -69.89 -19.82 63.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 3.06 111.289 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 82' ' ' LEU . 38.4 t -72.35 -61.6 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 1.22 110.887 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.618 HD12 ' HZ1' ' A' ' 56' ' ' LYS . 10.7 mp -61.72 -25.67 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 2.04 110.717 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.87 -52.2 11.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 1.85 110.552 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.31 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 1.04 111.245 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -54.16 -55.59 26.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.165 0.507 . . . . 2.09 110.481 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.48 -33.36 62.08 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.757 . . . . 0.39 111.861 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.54 -40.3 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.577 0.227 . . . . 1.08 110.69 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 34.5 m0 -58.03 -57.58 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.056 0.455 . . . . 0.49 110.176 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.7 p -64.75 -50.04 68.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.586 -0.734 . . . . 1.12 112.178 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 2.88 111.854 -179.096 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 C--O 1.231 0.092 0 N-CA-C 110.066 -0.346 . . . . 2.1 110.066 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.64 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.936 0.398 . . . . 1.36 110.591 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.96 88.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.907 -0.588 . . . . 1.03 110.617 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.73 -41.15 92.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.03 110.015 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 25' ' ' VAL . 61.4 t -51.74 -35.23 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.793 -0.639 . . . . 1.7 110.56 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.6 tm-20 -51.5 -50.24 60.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.159 -0.473 . . . . 2.29 110.013 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.56 92.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.86 109.821 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.41 -29.65 64.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.468 -0.787 . . . . 1.25 110.126 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.488 ' HA ' HG23 ' A' ' 28' ' ' VAL . 56.5 t -70.38 -41.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 2.65 110.259 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.16 -21.53 66.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 3.01 110.396 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.54 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.939 -0.573 . . . . 1.17 111.966 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.488 HG23 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.86 -18.01 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 112.783 0.66 . . . . 1.12 112.783 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.84 -10.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.034 0.383 . . . . 1.13 112.034 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -102.21 -47.7 4.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.72 0.266 . . . . 1.93 111.72 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.571 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.9 pp -116.08 32.02 6.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 1.36 111.494 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.28 179.7 32.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.43 112.831 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.5 m -154.91 -41.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.9 110.958 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -172.8 22.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.65 112.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 3.8 ptm180 44.61 26.24 0.18 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.667 0.387 . . . . 4.95 111.627 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -53.68 -43.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.042 0.448 . . . . 5.59 110.652 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.5 -31.3 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 3.89 110.994 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.4 m-20 -67.47 -57.87 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.78 110.614 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.536 HG22 HD13 ' A' ' 55' ' ' LEU . 7.2 p -57.66 -31.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 2.65 110.849 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HG2' ' HE2' ' A' ' 49' ' ' HIS . 49.0 mmtt -64.28 -50.49 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 3.75 111.583 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.8 tp -113.3 26.02 10.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.827 0.306 . . . . 3.0 111.827 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASP . 53.0 t -52.86 -45.11 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 2.23 109.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 173.96 28.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.267 -0.879 . . . . 1.43 110.624 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 64.78 14.9 9.48 Favored 'General case' 0 CA--C 1.513 -0.481 0 N-CA-C 108.029 -1.1 . . . . 4.2 108.029 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -85.34 -53.14 5.41 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.356 -1.293 . . . . 2.12 111.204 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.91 27.31 9.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 1.46 110.871 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -4.05 3.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.494 . . . . 1.56 111.338 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -101.61 -17.09 16.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 2.25 110.736 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.448 ' HE2' ' HG2' ' A' ' 40' ' ' LYS . 10.4 m170 62.07 105.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.926 -0.579 . . . . 6.0 111.326 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -78.79 -80.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 6.69 110.88 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.6 p -146.65 176.62 9.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.486 -0.325 . . . . 1.46 110.937 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -46.06 91.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.83 111.906 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.8 t -76.23 -47.61 30.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.121 -0.232 . . . . 1.2 111.043 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -48.28 67.59 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.71 110.362 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.536 HD13 HG22 ' A' ' 39' ' ' VAL . 5.4 tt -62.19 -40.05 94.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 2.22 109.597 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.19 -21.24 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 3.96 110.614 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.53 -44.75 41.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 2.08 110.284 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.592 ' HZ2' ' HB2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -65.25 -29.34 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 3.47 110.134 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -78.61 -49.55 13.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.89 110.331 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -56.68 -34.27 67.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 2.31 110.682 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.2 m -83.79 -26.3 29.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 1.77 109.847 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tp -64.1 -31.99 73.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.205 -0.907 . . . . 1.98 110.208 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.0 m -89.93 -44.84 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 1.07 110.452 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.454 ' HD1' HD23 ' A' ' 82' ' ' LEU . 34.4 t60 -55.38 -33.78 63.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.135 0.493 . . . . 2.08 110.733 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.1 t -78.64 -22.81 46.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 2.4 111.556 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.42 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.471 -0.331 . . . . 1.24 111.489 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 3.93 110.891 -179.858 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 2.53 110.71 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -52.23 -35.86 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 1.84 111.783 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD23 ' HD1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -64.93 -59.79 3.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.537 -0.301 . . . . 2.18 110.901 -179.505 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.88 -24.86 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 1.39 111.078 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.76 -51.04 45.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 2.04 110.473 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.84 -20.07 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 3.06 110.554 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -73.86 -57.88 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 1.22 110.657 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.78 -29.45 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 2.04 110.355 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.24 -46.98 53.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 1.85 110.405 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.64 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 1.04 111.341 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.48 -53.28 59.96 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 2.09 110.593 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.49 50.61 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.528 -0.76 . . . . 0.39 111.879 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.85 -41.09 95.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 1.08 110.34 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -56.22 -57.58 11.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.49 110.671 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -67.81 -48.08 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 1.12 112.438 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 2.88 111.696 -179.165 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.486 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 80.0 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.606 0.241 . . . . 2.1 110.72 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.49 -31.87 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.244 -0.435 . . . . 1.36 111.474 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.08 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 1.03 111.108 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.46 -41.56 88.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 2.03 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.48 HG23 ' SG ' ' A' ' 42' ' ' CYS . 61.8 t -57.47 -31.12 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.7 110.81 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -49.0 -58.35 5.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 2.29 110.114 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.19 86.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.86 109.935 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.64 -28.98 66.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.7 -0.682 . . . . 1.25 110.377 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.493 ' HA ' HG23 ' A' ' 28' ' ' VAL . 54.4 t -75.35 -38.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 2.65 110.306 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.47 -22.55 66.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.021 -0.536 . . . . 3.01 110.65 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.41 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 1.17 112.063 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.58 -18.09 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 112.615 0.598 . . . . 1.12 112.615 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -58.2 -10.46 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.782 0.29 . . . . 1.13 111.782 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 59.4 pttt -107.48 -47.73 3.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.676 0.25 . . . . 1.93 111.676 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.481 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -110.25 28.7 8.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.882 0.372 . . . . 1.36 111.448 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.57 -178.64 25.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.883 -0.675 . . . . 0.43 112.822 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 p -145.38 -49.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.9 111.236 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.01 22.04 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.917 -0.659 . . . . 0.65 112.316 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 42.56 24.59 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.817 0.447 . . . . 4.95 111.816 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -71.11 -44.72 65.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 5.59 111.079 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.02 -34.5 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.927 0.394 . . . . 3.89 111.263 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -67.51 -62.41 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.78 111.454 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.529 HG13 ' HG ' ' A' ' 55' ' ' LEU . 43.6 t -57.04 -38.49 60.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 2.65 111.836 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.35 -33.68 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 3.75 111.17 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.22 18.77 18.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.721 0.296 . . . . 3.0 111.1 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.48 ' SG ' HG23 ' A' ' 21' ' ' VAL . 17.0 t -51.99 -50.25 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 2.23 110.514 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 17' ' ' SER . . . 178.31 29.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.589 -0.732 . . . . 1.43 110.703 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.2 t80 69.21 15.92 8.55 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 107.703 -1.221 . . . . 4.2 107.703 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.2 -54.13 6.58 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.088 -1.415 . . . . 2.12 110.558 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.493 ' HB3' HG11 ' A' ' 39' ' ' VAL . 15.9 t70 -119.2 25.2 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.018 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -22.1 60.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.942 -0.572 . . . . 1.56 111.369 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.38 -7.65 59.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 2.25 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.8 p80 37.0 90.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.679 -0.691 . . . . 6.0 112.1 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -60.41 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 6.69 111.125 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -150.1 179.65 7.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.425 . . . . 1.46 110.68 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' H ' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -64.13 -46.49 83.93 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.74 0.274 . . . . 0.83 111.74 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.3 t -79.21 -37.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.683 0.278 . . . . 1.2 110.96 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.418 . . . . 0.71 110.286 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.529 ' HG ' HG13 ' A' ' 39' ' ' VAL . 8.2 tt -65.24 -50.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 2.22 110.013 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -27.36 66.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.204 -0.453 . . . . 3.96 109.824 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.23 -49.66 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 2.08 109.941 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -57.78 -29.18 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.707 -0.678 . . . . 3.47 109.88 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -73.93 -48.51 30.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.572 -0.74 . . . . 0.89 110.213 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.539 ' HD2' HD12 ' A' ' 82' ' ' LEU . 27.9 ttpt -57.3 -30.89 65.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.876 -0.602 . . . . 2.31 110.662 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.5 m -83.4 -26.97 29.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 1.77 110.096 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -32.28 73.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.462 -0.79 . . . . 1.98 110.208 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.4 m -90.06 -43.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 1.07 111.295 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -60.27 -29.88 69.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.992 0.425 . . . . 2.08 110.597 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.6 t -80.7 -23.18 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.907 -0.588 . . . . 2.4 111.385 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.58 -84.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 1.24 111.443 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 3.93 111.017 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.96 0.409 . . . . 2.53 110.766 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.577 -0.738 . . . . 1.84 111.608 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.539 HD12 ' HD2' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -60.07 -36.07 76.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.661 0.267 . . . . 2.18 111.565 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.42 -41.37 47.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 1.39 111.375 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -67.47 -38.86 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 2.04 111.52 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.0 ptm85 -74.31 -36.18 63.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 3.06 111.729 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.484 HG23 ' HA ' ' A' ' 60' ' ' LYS . 25.9 t -73.42 -44.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.675 0.274 . . . . 1.22 111.312 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.23 -33.1 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.999 0.428 . . . . 2.04 110.444 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.3 -53.7 13.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 1.85 110.663 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.23 -43.7 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 1.04 111.032 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.432 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 11.1 t-160 -61.02 -55.09 36.95 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.076 0.465 . . . . 2.09 110.287 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.06 -32.87 50.33 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.39 111.651 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -63.82 -46.97 82.72 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.187 -0.301 . . . . 1.08 110.187 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -54.78 -60.1 3.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.058 0.456 . . . . 0.49 110.341 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -56.11 -40.99 74.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.568 -0.742 . . . . 1.12 111.392 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 2.88 110.761 179.848 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 21' ' ' VAL . 52.6 m . . . . . 0 C--O 1.232 0.138 0 N-CA-C 110.349 -0.241 . . . . 2.1 110.349 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.16 -23.57 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 1.36 111.013 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.21 13.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 1.03 110.643 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.22 -33.78 73.84 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.08 0.467 . . . . 2.03 110.017 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 17' ' ' SER . 96.2 t -55.76 -25.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 1.7 110.605 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -52.82 -53.96 41.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.045 0.45 . . . . 2.29 110.377 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.29 82.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.606 . . . . 0.86 110.612 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.8 tp -54.4 -60.17 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.843 -0.617 . . . . 1.25 110.732 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.521 ' HA ' HG23 ' A' ' 28' ' ' VAL . 31.8 m -61.81 -26.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 2.65 110.833 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -68.07 -23.49 64.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 3.01 109.742 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.22 -29.43 20.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.464 -0.789 . . . . 1.17 111.263 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 25' ' ' VAL . 4.0 m -85.75 -19.35 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 112.343 0.497 . . . . 1.12 112.343 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.27 -10.18 14.86 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.081 -0.248 . . . . 1.13 111.589 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -107.5 -40.42 5.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.937 0.347 . . . . 1.93 111.937 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.534 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -122.55 29.49 6.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.824 0.345 . . . . 1.36 111.678 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.77 -170.98 45.16 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.773 -0.727 . . . . 0.43 112.772 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.508 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 47.7 m -146.36 -33.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.633 0.254 . . . . 1.9 111.311 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.95 26.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.702 -0.761 . . . . 0.65 112.717 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 41.18 27.5 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.77 0.428 . . . . 4.95 111.813 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.508 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 42.9 p-90 -73.57 -43.09 60.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 5.59 111.01 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.16 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.16 0.505 . . . . 3.89 110.158 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.8 m-20 -66.6 -56.53 10.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.651 -0.704 . . . . 0.78 110.972 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -57.36 -29.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 2.65 111.417 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -69.63 -49.37 54.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.479 -0.328 . . . . 3.75 111.66 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.18 25.58 11.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.841 0.311 . . . . 3.0 111.841 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' ASP . 48.3 t -52.75 -47.17 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 2.23 109.862 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.13 27.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.242 -0.89 . . . . 1.43 110.775 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 66.08 13.05 8.9 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.256 -1.016 . . . . 4.2 108.256 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -85.82 -48.76 8.47 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.646 -1.161 . . . . 2.12 111.121 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.81 26.34 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 1.46 110.818 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -15.72 59.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 1.56 110.994 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.03 -7.19 36.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 2.25 110.789 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 62.97 105.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.854 -0.612 . . . . 6.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 50' ' ' ARG . 7.1 tpm_? -83.48 -67.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 6.69 110.961 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 14.3 m -156.3 154.03 30.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 1.46 110.612 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -45.48 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.043 0.386 . . . . 0.83 112.043 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 89.9 t -78.06 -33.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.081 -0.248 . . . . 1.2 111.276 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.52 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -67.88 -44.99 75.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.018 0.437 . . . . 0.71 110.447 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.85 -53.62 43.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 2.22 109.969 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -56.62 -28.5 60.61 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.573 -0.529 . . . . 3.96 109.573 179.266 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 14.4 t70 -63.71 -44.39 93.78 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.415 -0.587 . . . . 2.08 109.415 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -59.15 -32.42 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.53 -0.759 . . . . 3.47 110.07 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.405 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -82.64 -30.76 29.15 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.85 -0.613 . . . . 0.89 109.904 179.247 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -38.06 81.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.326 -0.852 . . . . 2.31 110.157 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.9 t -82.69 -26.85 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.599 -0.728 . . . . 1.77 109.328 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -59.65 -44.35 93.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.108 -0.951 . . . . 1.98 109.143 178.547 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.4 m -80.16 -44.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 1.07 110.783 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.489 ' HB2' HD11 ' A' ' 82' ' ' LEU . 2.0 t60 -54.61 -34.46 62.08 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.159 -0.473 . . . . 2.08 111.143 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.6 m -90.79 -17.24 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 2.4 111.263 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.62 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 1.24 111.504 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.496 -0.32 . . . . 3.93 111.205 -179.849 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 121.019 0.438 . . . . 2.53 110.721 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -51.47 -37.48 49.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 1.84 111.909 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.489 HD11 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -66.35 -57.6 7.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.582 -0.281 . . . . 2.18 111.171 -179.281 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.64 -33.27 69.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 1.39 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.1 -52.13 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 2.04 111.024 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 85' ' ' ARG . 11.3 ptp180 -68.87 -19.74 64.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 3.06 111.189 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.426 HG11 ' HD3' ' A' ' 56' ' ' LYS . 41.7 t -70.38 -62.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.347 -0.388 . . . . 1.22 110.924 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.17 -19.45 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 2.04 110.779 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -77.23 -54.4 6.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 1.85 110.399 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 1.04 110.955 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -61.66 -55.63 28.44 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.127 0.489 . . . . 2.09 110.181 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.3 -29.45 63.11 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.697 -0.763 . . . . 0.39 111.645 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -64.62 -47.39 78.75 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 110.396 -0.224 . . . . 1.08 110.396 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.46 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 16.5 m0 -57.41 -57.5 12.39 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.249 0.547 . . . . 0.49 109.944 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -55.12 -36.45 65.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.375 -0.829 . . . . 1.12 111.155 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 2.88 110.79 179.801 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 C--O 1.231 0.112 0 N-CA-C 110.217 -0.29 . . . . 2.1 110.217 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.92 -33.23 15.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.871 0.367 . . . . 1.36 110.73 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.17 84.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 1.03 110.524 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.38 -36.46 81.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.029 -0.532 . . . . 2.03 109.983 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' O ' HG21 ' A' ' 25' ' ' VAL . 74.1 t -54.17 -34.34 26.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.808 -0.633 . . . . 1.7 110.496 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 39.7 tt0 -48.58 -56.13 9.25 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.107 0.48 . . . . 2.29 110.244 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.72 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.86 109.881 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.58 -28.94 66.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.584 -0.735 . . . . 1.25 110.111 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.521 ' HA ' HG23 ' A' ' 28' ' ' VAL . 55.8 t -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 2.65 110.213 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -65.21 -23.24 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 3.01 110.203 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.69 -37.09 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 1.17 112.231 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 25' ' ' VAL . 31.1 m -85.75 -18.18 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.642 0.608 . . . . 1.12 112.642 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.09 -10.36 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.894 0.331 . . . . 1.13 111.894 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.543 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.0 ptpt -107.35 -47.78 3.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.891 0.33 . . . . 1.93 111.891 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.543 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.8 pp -114.27 31.98 6.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 1.36 111.62 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.17 -175.86 43.23 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.721 -0.752 . . . . 0.43 112.681 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.501 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 59.7 m -151.32 -43.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 1.9 110.918 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.88 20.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.807 -0.711 . . . . 0.65 112.411 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 59' ' ' TRP . 1.4 ptm180 45.0 21.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 122.821 0.448 . . . . 4.95 111.575 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.501 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 11.4 p-90 -58.35 -45.24 88.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 5.59 110.852 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 16.0 ptm180 -65.26 -28.81 69.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 3.89 110.519 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.56 -60.18 3.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.78 110.724 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.442 HG11 HD11 ' A' ' 55' ' ' LEU . 19.0 m -57.46 -26.96 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 2.65 110.721 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 88.9 mttt -64.54 -52.5 57.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 3.75 111.167 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.0 24.69 12.11 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.803 0.297 . . . . 3.0 111.803 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.87 -46.06 78.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 2.23 110.296 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -177.03 24.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 1.43 111.153 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.416 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER 72.2 4.95 5.18 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.457 -0.942 . . . . 4.2 108.457 -179.457 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -81.35 -54.4 5.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.705 -1.134 . . . . 2.12 111.496 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -101.45 25.5 8.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 1.46 110.782 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.44 -3.71 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 1.56 111.32 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.25 -5.55 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 2.25 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 62.97 114.22 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.068 -0.514 . . . . 6.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.21 -69.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 6.69 111.223 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -158.14 155.94 30.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 1.46 110.352 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -47.54 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.769 0.285 . . . . 0.83 111.769 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.32 -43.04 31.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.054 -0.259 . . . . 1.2 111.012 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.3 m-20 -57.74 -51.49 69.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.71 110.383 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.442 HD11 HG11 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -61.63 -34.98 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 2.22 109.236 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -67.29 -29.81 69.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.734 -0.666 . . . . 3.96 109.963 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -68.27 -46.2 71.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.194 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.52 -30.75 70.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.13 0.49 . . . . 3.47 109.713 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.495 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -71.25 -45.6 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.771 . . . . 0.89 110.0 179.234 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.558 ' HD2' ' HG ' ' A' ' 83' ' ' LEU . 1.5 ttpm? -56.18 -33.59 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.676 -0.693 . . . . 2.31 110.385 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.7 m -85.11 -28.03 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.778 -0.646 . . . . 1.77 109.626 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 59' ' ' TRP . 4.7 tp -64.01 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.031 -0.986 . . . . 1.98 110.145 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -90.16 -43.66 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 1.07 110.658 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.466 ' HB2' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -57.96 -33.93 69.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 2.08 110.801 179.292 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.8 t -74.04 -21.93 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 2.4 111.535 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.94 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 1.24 111.303 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 3.93 111.135 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.833 0.349 . . . . 2.53 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -50.77 -38.97 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 1.84 111.726 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -68.57 -58.68 3.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.489 -0.323 . . . . 2.18 110.954 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.558 ' HG ' ' HD2' ' A' ' 60' ' ' LYS . 25.6 mt -56.31 -25.81 49.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 1.39 110.869 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -72.12 -49.66 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 2.04 110.836 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.43 -19.99 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 3.06 111.131 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 82' ' ' LEU . 46.9 t -76.46 -57.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 1.22 110.97 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.19 -26.95 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 2.04 110.595 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -75.46 -56.69 4.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 1.85 110.766 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.33 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 1.04 111.16 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -59.18 -55.39 35.56 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.178 0.513 . . . . 2.09 110.407 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.12 -31.53 59.08 Favored Glycine 0 C--O 1.225 -0.46 0 CA-C-N 115.491 -0.777 . . . . 0.39 111.796 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.06 -40.28 87.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.705 0.288 . . . . 1.08 110.232 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.486 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 41.1 m0 -58.72 -54.5 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.382 . . . . 0.49 110.426 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -68.06 -48.57 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 1.12 112.133 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.398 . . . . 2.88 112.007 -179.099 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.736 0.303 . . . . 10.64 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 58.65 18.72 6.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.499 . . . . 10.63 111.079 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -73.48 125.33 27.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 7.83 110.929 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.7 mm -100.22 131.04 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 6.75 110.919 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -66.86 103.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 7.1 110.823 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -139.04 87.71 13.87 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 7.27 110.885 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.34 -30.98 9.69 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.395 2.063 . . . . 3.01 112.312 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -128.45 167.37 17.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 2.79 110.994 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 21' ' ' VAL . 80.8 p -162.09 179.68 7.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.944 -0.571 . . . . 1.87 110.578 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -51.84 -32.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.388 . . . . 1.2 110.948 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.64 75.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.116 -0.493 . . . . 1.04 110.513 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.08 -35.38 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.809 -0.632 . . . . 2.51 110.19 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 25' ' ' VAL . 94.3 t -55.38 -34.45 34.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.596 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -48.69 -58.38 4.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.23 -0.441 . . . . 2.37 110.321 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.1 78.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.87 109.909 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.58 -29.8 68.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 1.32 110.251 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 21' ' ' VAL . 75.4 t -70.13 -42.38 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 116.149 -0.478 . . . . 1.8 110.24 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.78 -22.25 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 2.13 110.671 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.79 -37.61 16.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 1.16 112.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.446 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.7 m -85.69 -18.04 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 112.773 0.657 . . . . 1.08 112.773 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.38 -10.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.959 0.355 . . . . 0.73 111.959 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 57.7 pttt -106.54 -47.75 3.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.711 0.263 . . . . 2.16 111.711 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.529 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -111.26 32.35 5.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 1.69 111.34 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.7 168.79 42.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.834 -0.698 . . . . 0.4 112.734 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.8 p -143.14 -36.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 1.97 111.022 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.95 28.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.759 -0.734 . . . . 0.57 112.591 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.539 HH22 ' HZ2' ' A' ' 56' ' ' LYS . 11.7 ptp85 42.94 30.46 0.25 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.719 0.408 . . . . 5.16 111.711 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -63.78 -45.46 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.119 0.485 . . . . 4.68 110.378 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -71.5 -31.19 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.609 . . . . 4.06 110.685 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.1 -51.48 45.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.19 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.449 HG21 HD13 ' A' ' 55' ' ' LEU . 8.7 p -63.09 -31.97 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 2.21 111.213 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -67.98 -45.32 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 2.67 111.562 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.16 25.13 11.63 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.874 0.324 . . . . 2.6 111.874 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.2 t -54.43 -46.2 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.82 109.882 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.87 27.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.133 -0.939 . . . . 1.36 110.637 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.94 13.02 8.82 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 108.204 -1.036 . . . . 4.28 108.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.98 -54.03 4.74 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.517 -1.22 . . . . 2.1 111.447 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.14 27.25 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.83 110.9 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.71 -6.31 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 1.22 111.246 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -108.88 -5.5 16.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.375 . . . . 2.33 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 61.5 m80 63.32 111.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.066 -0.515 . . . . 4.19 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.462 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -94.46 -69.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 6.14 111.135 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.431 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 10.7 m -150.66 153.03 34.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 1.43 110.823 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.021 0.378 . . . . 1.15 112.021 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 56' ' ' LYS . 99.0 t -78.19 -35.7 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.869 -0.332 . . . . 1.18 110.999 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 0.9 OUTLIER -56.77 -53.38 58.42 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.643 -0.503 . . . . 0.65 109.643 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 HD13 HG21 ' A' ' 39' ' ' VAL . 15.8 tp -62.8 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 2.36 109.4 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.539 ' HZ2' HH22 ' A' ' 35' ' ' ARG . 16.6 tppt? -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.446 -0.797 . . . . 3.49 110.348 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.8 -44.66 55.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.977 -0.556 . . . . 2.04 110.37 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.3 -29.03 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.551 -0.75 . . . . 2.81 111.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -80.17 -51.93 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.64 110.059 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HZ2' ' HB3' ' A' ' 60' ' ' LYS . 1.4 ttpm? -54.64 -33.39 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 1.68 111.081 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.4 t -82.44 -30.42 30.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.96 0.41 . . . . 1.52 110.337 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -33.37 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.682 -0.69 . . . . 1.85 110.236 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.8 m -90.17 -41.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 1.14 111.12 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.417 ' HD1' ' HG3' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -61.75 -29.33 70.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.897 0.379 . . . . 1.77 110.578 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.2 t -81.15 -17.24 50.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 1.86 111.434 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.19 -87.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.259 -0.428 . . . . 1.34 111.386 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -148.22 22.56 1.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.48 -0.327 . . . . 3.75 111.245 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.63 -25.27 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.799 0.333 . . . . 1.43 110.719 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.0 m 51.02 72.78 1.12 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 2.14 111.147 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.417 ' HG3' ' HD1' ' A' ' 64' ' ' HIS . 72.2 Cg_endo -78.15 2.15 8.27 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.502 2.135 . . . . 1.62 112.421 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.516 ' HG3' ' H ' ' A' ' 73' ' ' ARG . 19.0 pt20 -87.64 -25.86 23.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 5.06 110.921 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 59.75 15.01 4.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 7.17 111.204 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.516 ' H ' ' HG3' ' A' ' 71' ' ' GLN . 71.6 ttt180 62.09 10.81 3.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.262 -0.427 . . . . 7.17 111.006 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -107.91 -53.95 2.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 8.78 110.945 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.1 -143.27 5.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.807 -0.711 . . . . 4.57 112.378 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.16 72.96 78.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.614 0.245 . . . . 6.42 110.879 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 56.0 Cg_endo -72.01 -87.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.441 2.094 . . . . 3.14 112.321 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.401 ' H ' ' HG2' ' A' ' 77' ' ' PRO . 3.3 m -144.93 99.57 4.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 3.03 111.14 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HB2' HD23 ' A' ' 82' ' ' LEU . 58.3 Cg_endo -71.98 81.09 1.44 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.302 2.001 . . . . 1.69 112.404 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -96.73 -27.24 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.987 -0.551 . . . . 3.95 110.87 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -51.15 -47.9 61.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 2.78 111.604 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.487 HD12 ' N ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -57.71 -29.99 65.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.633 -0.258 . . . . 2.0 111.524 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 82' ' ' LEU . 27.6 mt -79.65 -39.14 32.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.943 0.401 . . . . 1.39 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -69.37 -35.49 75.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.023 -0.535 . . . . 1.78 111.213 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 85' ' ' ARG . 13.8 ptm180 -78.74 -34.95 45.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 2.48 111.764 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 60' ' ' LYS . 13.3 p -68.94 -45.88 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.91 -0.316 . . . . 1.44 111.083 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 86' ' ' VAL . 7.0 mp -70.35 -33.2 71.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 1.88 110.845 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -69.61 -43.89 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 1.76 110.098 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.74 -57.53 12.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 1.15 111.288 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -59.16 -55.09 39.39 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.976 0.417 . . . . 0.79 110.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -52.77 -33.59 42.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.872 -0.68 . . . . 0.35 111.962 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 96' ' ' GLN . 11.6 t80 -65.39 -48.42 72.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.67 -0.122 . . . . 1.01 110.67 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.05 -60.63 2.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 0.38 110.371 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.5 p -57.77 -48.29 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.529 -0.76 . . . . 1.07 111.498 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.59 -11.63 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 2.55 111.025 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 92' ' ' TYR . 7.6 tp60 -82.9 -32.32 27.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 3.77 110.215 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 61.77 33.91 17.58 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.739 -0.664 . . . . 2.72 110.611 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.457 ' C ' ' H ' ' A' ' 100' ' ' GLN . 63.7 mtt 63.89 3.06 1.51 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.834 -0.621 . . . . 3.04 111.238 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 72.66 -34.73 0.3 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.164 -0.471 . . . . 4.71 111.722 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.457 ' H ' ' C ' ' A' ' 98' ' ' MET . 49.3 mt-30 -144.83 19.62 1.64 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.751 0.31 . . . . 5.44 110.796 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' N ' HD13 ' A' ' 101' ' ' LEU . 7.1 mp 60.01 18.38 7.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.205 -0.452 . . . . 6.15 110.961 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.428 ' HG2' ' H ' ' A' ' 104' ' ' ASN . 9.7 tt0 -136.99 157.55 46.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.086 -0.506 . . . . 7.84 110.665 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.1 pm0 -79.48 3.83 17.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 8.92 110.984 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.428 ' H ' ' HG2' ' A' ' 102' ' ' GLN . 7.8 t30 -86.04 80.99 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 7.22 110.662 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.563 -0.732 . . . . 4.85 111.295 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.821 0.343 . . . . 10.64 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -83.43 -22.96 32.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.478 . . . . 10.63 110.882 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -94.2 110.38 22.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 7.83 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.9 mt -102.52 139.91 22.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 6.75 111.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -84.48 114.02 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.141 0.496 . . . . 7.1 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -94.38 149.93 37.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.712 -0.677 . . . . 7.27 110.899 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.68 -63.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.403 2.069 . . . . 3.01 112.433 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -133.55 174.83 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 2.79 111.169 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 21' ' ' VAL . 80.1 p -154.76 162.65 41.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.945 -0.571 . . . . 1.87 110.648 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -50.26 -34.69 11.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.319 -0.4 . . . . 1.2 111.149 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.79 82.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 1.04 111.002 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.1 -34.75 73.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.049 -0.523 . . . . 2.51 110.296 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' ' 25' ' ' VAL . 97.4 t -54.83 -35.4 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.596 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.1 tm-20 -49.49 -56.89 8.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.172 -0.467 . . . . 2.37 110.383 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.73 81.73 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.229 0.538 . . . . 0.87 110.063 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.78 -30.21 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.438 -0.801 . . . . 1.32 110.25 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.483 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.7 t -69.05 -44.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 1.8 110.463 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.66 -22.38 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 2.13 110.556 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.2 -37.98 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.575 . . . . 1.16 112.171 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 25' ' ' VAL . 30.7 m -85.61 -17.79 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.841 0.682 . . . . 1.08 112.841 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.37 -10.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.807 0.299 . . . . 0.73 111.807 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.556 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.2 pttt -107.04 -46.65 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.823 0.305 . . . . 2.16 111.823 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -116.14 33.85 5.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.895 0.379 . . . . 1.69 111.511 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.59 179.79 51.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.4 112.705 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 9.2 p -145.83 -41.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 1.97 110.985 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.07 26.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.868 -0.682 . . . . 0.57 112.402 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.499 HH11 HD12 ' A' ' 55' ' ' LEU . 3.5 ptm180 44.66 28.0 0.3 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.725 0.41 . . . . 5.16 111.694 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -54.28 -42.59 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.051 0.453 . . . . 4.68 110.6 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -69.74 -29.37 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 4.06 110.553 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.3 m-20 -68.64 -55.9 9.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 2.19 110.394 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.561 ' HB ' HD11 ' A' ' 55' ' ' LEU . 11.6 p -59.78 -26.44 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.327 -0.397 . . . . 2.21 110.693 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' HB3' HD23 ' A' ' 41' ' ' LEU . 50.7 mmtt -67.89 -53.15 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 2.67 111.38 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 40' ' ' LYS . 3.9 mm? -113.03 25.82 11.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.353 -0.385 . . . . 2.6 111.843 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' ASP . 51.8 t -49.94 -45.68 51.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.479 . . . . 1.82 110.161 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.68 26.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.257 -0.883 . . . . 1.36 111.089 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 t80 67.89 10.53 7.86 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.069 -1.086 . . . . 4.28 108.069 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.57 -49.06 8.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.523 -1.217 . . . . 2.1 111.213 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -107.9 25.29 11.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.83 110.929 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.22 -6.62 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 1.22 111.222 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.33 -4.14 16.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.256 -0.429 . . . . 2.33 110.854 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.6 m80 63.44 112.84 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.957 -0.565 . . . . 4.19 111.214 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -93.35 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 6.14 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.0 m -158.88 155.3 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.43 110.466 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -46.67 89.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.151 -0.22 . . . . 1.15 111.56 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.7 t -76.41 -42.61 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 121.107 -0.237 . . . . 1.18 111.001 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.538 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -57.32 -53.75 54.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.844 0.354 . . . . 0.65 110.353 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.561 HD11 ' HB ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -59.38 -35.44 73.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.26 -0.644 . . . . 2.36 109.26 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.7 tppp? -67.69 -28.77 67.97 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.659 -0.7 . . . . 3.49 110.027 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 42.4 m-20 -68.26 -42.53 79.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.008 -0.542 . . . . 2.04 109.908 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.3 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.118 -0.492 . . . . 2.81 109.749 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -70.83 -46.26 63.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.58 -0.736 . . . . 0.64 109.949 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -60.57 -31.64 70.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.79 -0.641 . . . . 1.68 110.421 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -85.09 -25.87 27.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.451 0.643 . . . . 1.52 109.567 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tp -63.94 -34.32 77.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.904 -1.044 . . . . 1.85 110.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.1 m -89.33 -42.21 14.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.945 -0.571 . . . . 1.14 110.453 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.502 ' HB2' HD11 ' A' ' 82' ' ' LEU . 21.5 t60 -54.89 -38.23 67.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.523 . . . . 1.77 110.854 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -82.1 -19.36 40.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 1.86 111.36 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.33 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 1.34 111.348 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -165.42 26.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 3.75 111.202 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.4 mm -58.54 -30.07 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 1.43 110.741 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t 47.82 67.03 4.88 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.089 -0.505 . . . . 2.14 111.217 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.32 5.79 5.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.602 2.201 . . . . 1.62 112.525 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -66.41 -39.31 88.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 5.06 111.062 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 61.12 8.96 2.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.164 -0.471 . . . . 7.17 111.444 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 62.44 118.37 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.267 -0.424 . . . . 7.17 111.423 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.14 107.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 8.78 111.272 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.86 154.97 11.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 4.57 112.708 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -163.66 105.48 0.94 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.407 0.146 . . . . 6.42 110.782 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.406 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 55.4 Cg_endo -71.47 -86.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.268 1.979 . . . . 3.14 112.361 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.406 ' H ' ' HG2' ' A' ' 77' ' ' PRO . 7.5 p -145.55 131.42 9.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 3.03 110.992 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.513 ' HB2' HD13 ' A' ' 82' ' ' LEU . 73.6 Cg_endo -75.57 86.87 1.43 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.391 2.06 . . . . 1.69 112.383 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -96.32 -25.15 15.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 3.95 111.016 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -49.45 -33.93 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.676 -0.693 . . . . 2.78 111.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD13 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -66.85 -60.15 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.344 -0.389 . . . . 2.0 111.042 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.94 -26.06 65.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.39 111.108 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -70.98 -51.05 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.78 110.966 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -71.96 -20.25 61.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 2.48 111.205 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.6 t -76.81 -61.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.509 -0.314 . . . . 1.44 111.119 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.22 -27.19 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.532 -0.303 . . . . 1.88 110.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -73.77 -57.14 4.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 1.76 110.558 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.15 75.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 1.15 111.003 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.47 -55.12 34.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.161 0.505 . . . . 0.79 110.212 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.0 -31.32 58.57 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.654 -0.703 . . . . 0.35 111.736 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 96' ' ' GLN . 16.1 t80 -66.07 -46.4 77.86 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 110.515 -0.179 . . . . 1.01 110.515 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.433 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 22.6 m0 -55.94 -58.56 7.38 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.119 0.485 . . . . 0.38 110.019 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -56.96 -50.69 71.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.697 . . . . 1.07 111.19 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -67.03 -17.37 64.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 2.55 110.665 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 64.7 tt0 -75.99 -29.17 58.11 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.628 -0.508 . . . . 3.77 109.628 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 66.91 15.28 10.11 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.323 -0.853 . . . . 2.72 110.992 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 39.8 ttp 55.26 15.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 3.04 111.114 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -126.72 20.26 7.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 4.71 110.953 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 58.76 100.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 5.44 111.106 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.14 -43.44 87.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 6.15 111.027 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.86 83.17 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 7.84 110.745 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 55.31 21.96 4.5 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.099 -0.5 . . . . 8.92 111.307 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.76 79.45 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 7.22 110.792 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.349 -0.834 . . . . 4.85 111.18 179.894 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 10.64 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 4.3 mmp_? 58.58 18.44 5.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.069 -0.514 . . . . 10.63 111.188 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -93.26 108.11 19.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 7.83 110.864 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.416 ' H ' HG13 ' A' ' 12' ' ' ILE . 2.4 pp -77.22 175.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 6.75 111.303 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -143.17 -36.74 0.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 7.1 110.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -53.84 145.82 30.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 7.27 111.035 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.03 -53.59 2.45 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.524 2.149 . . . . 3.01 112.319 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -119.71 171.65 8.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 2.79 111.285 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -163.86 178.92 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 1.87 110.613 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -50.21 -27.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 1.2 111.274 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.69 -58.2 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 1.04 111.097 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.92 -35.13 77.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.51 110.708 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG23 ' SG ' ' A' ' 42' ' ' CYS . 87.5 t -55.14 -29.45 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.694 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.11 -57.54 10.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 2.37 110.49 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.87 110.259 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.68 -28.38 65.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 1.32 110.168 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.514 ' HA ' HG22 ' A' ' 28' ' ' VAL . 4.0 t -75.23 -39.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.758 -0.655 . . . . 1.8 110.522 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tm0? -65.37 -21.8 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 2.13 110.22 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.9 -36.72 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 1.16 112.054 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.5 m -85.68 -18.12 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 112.764 0.653 . . . . 1.08 112.764 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -9.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.956 0.354 . . . . 0.73 111.956 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HG3' HD21 ' A' ' 31' ' ' LEU . 19.3 ptpt -104.25 -42.03 5.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.0 0.37 . . . . 2.16 112.0 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD21 ' HG3' ' A' ' 30' ' ' LYS . 2.5 pt? -121.52 29.31 7.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.993 0.425 . . . . 1.69 111.485 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -78.3 -168.59 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.759 -0.734 . . . . 0.4 112.953 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 m -152.33 -44.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 1.97 110.846 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.13 22.54 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.951 -0.642 . . . . 0.57 112.771 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 7.0 ptm180 44.97 25.67 0.17 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 122.78 0.432 . . . . 5.16 111.737 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -57.14 -47.44 81.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 4.68 110.365 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -72.08 -28.82 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.757 -0.656 . . . . 4.06 110.879 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.3 m-20 -66.55 -59.98 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 2.19 110.462 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' A' ' 46' ' ' ASP . 35.1 m -59.14 -28.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 2.21 110.464 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.526 ' HG2' ' HE2' ' A' ' 49' ' ' HIS . 4.6 mmtm -61.9 -50.42 72.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 2.67 111.056 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.25 24.28 12.45 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.564 -0.289 . . . . 2.6 111.639 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 21' ' ' VAL . 32.9 t -57.46 -48.27 79.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.087 0.47 . . . . 1.82 110.017 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.47 29.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.253 -0.885 . . . . 1.36 110.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 65.89 20.46 11.37 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.7 -1.222 . . . . 4.28 107.7 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.26 -54.85 4.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.088 -1.415 . . . . 2.1 111.269 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.498 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 10.1 m-20 -114.94 20.48 15.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.956 -0.566 . . . . 0.83 110.693 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -5.8 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 1.22 111.467 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.76 -16.97 14.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.555 -0.293 . . . . 2.33 111.045 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.526 ' HE2' ' HG2' ' A' ' 40' ' ' LYS . 38.0 m-70 61.17 105.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.444 . . . . 4.19 111.001 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -85.7 -56.7 3.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 6.14 111.392 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 16.8 m -156.3 156.78 34.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.441 -0.345 . . . . 1.43 110.79 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.54 -44.89 96.22 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.815 -0.175 . . . . 1.15 111.426 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.3 t -75.98 -41.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 1.18 110.562 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m-20 -56.99 -43.02 81.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.093 0.473 . . . . 0.65 109.859 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.81 -40.46 95.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.191 -0.67 . . . . 2.36 109.191 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.471 -0.786 . . . . 3.49 109.978 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.84 -38.06 62.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.002 -0.544 . . . . 2.04 110.038 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -66.28 -33.27 75.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 2.81 109.849 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -75.15 -49.13 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.739 . . . . 0.64 109.916 179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.3 tmtt? -59.36 -38.76 81.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.458 -0.792 . . . . 1.68 110.884 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m -75.94 -27.3 57.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 1.52 110.28 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.58 -38.94 92.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.768 -0.651 . . . . 1.85 110.199 179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.8 m -83.4 -42.22 17.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.309 -0.405 . . . . 1.14 110.552 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.55 ' HB2' HD11 ' A' ' 82' ' ' LEU . 6.9 t60 -55.06 -40.77 70.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.039 -0.528 . . . . 1.77 110.92 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.09 -18.79 45.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 1.86 111.442 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.51 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.384 -0.371 . . . . 1.34 111.28 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -163.4 20.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 3.75 111.223 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.9 mm -60.83 -28.49 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 1.43 110.664 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . 53.4 m 45.18 59.02 14.76 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.933 -0.576 . . . . 2.14 111.54 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.524 ' HB2' ' HB3' ' A' ' 79' ' ' PRO . 74.1 Cg_endo -78.27 -48.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.521 2.147 . . . . 1.62 112.447 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -81.6 -14.51 56.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 5.06 111.045 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.404 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 18.5 mm-40 -65.67 -20.5 66.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 7.17 110.817 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 73' ' ' ARG . 4.0 mmp_? -105.54 115.35 30.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 7.17 110.889 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 74' ' ' ARG . 4.1 mmp_? -78.58 123.72 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 8.78 110.883 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.02 41.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.831 -0.7 . . . . 4.57 112.53 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -161.69 149.74 12.34 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.444 0.164 . . . . 6.42 110.932 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -71.38 -75.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.689 2.259 . . . . 3.14 112.152 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.2 m -127.77 151.01 74.81 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 3.03 111.141 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.524 ' HB3' ' HB2' ' A' ' 70' ' ' PRO . 60.6 Cg_endo -72.15 100.14 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.481 2.12 . . . . 1.69 112.329 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -96.22 -25.91 15.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.045 -0.525 . . . . 3.95 111.152 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -50.29 -38.16 39.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 2.78 111.765 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -66.81 -60.05 3.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.414 -0.357 . . . . 2.0 110.998 -179.462 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.16 -24.53 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 1.39 111.011 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.54 -51.04 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 1.78 110.829 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.75 -20.03 61.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 2.48 111.065 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 42.5 t -74.98 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 1.44 111.095 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.46 -25.88 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 1.88 110.872 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.73 -51.61 18.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.976 0.417 . . . . 1.76 110.512 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.35 82.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.79 -0.641 . . . . 1.15 111.263 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.427 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 49.9 t60 -60.06 -55.64 31.5 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.033 0.444 . . . . 0.79 110.421 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.55 -33.17 62.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.736 -0.745 . . . . 0.35 111.737 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.05 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 1.01 110.727 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.427 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 20.0 m0 -59.87 -58.56 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.074 0.464 . . . . 0.38 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -63.81 -34.13 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.663 -0.699 . . . . 1.07 112.815 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -85.3 -63.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.021 0.378 . . . . 2.55 112.021 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.593 ' HG3' ' HA ' ' A' ' 99' ' ' GLN . 51.4 tp60 -59.6 -15.65 20.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.548 -0.296 . . . . 3.77 111.225 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' HA ' HE21 ' A' ' 97' ' ' GLN . 0.0 OUTLIER 60.06 58.62 2.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 2.72 111.378 179.651 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.43 ' O ' ' HB3' ' A' ' 99' ' ' GLN . 2.2 mpt? 53.27 22.51 2.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 3.04 111.263 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.593 ' HA ' ' HG3' ' A' ' 96' ' ' GLN . 28.3 tt0 75.11 -43.11 0.5 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.551 0.532 . . . . 4.71 111.273 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -150.23 150.74 31.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.785 0.326 . . . . 5.44 110.869 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.5 pp -81.86 -6.05 58.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 6.15 110.946 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.517 ' HG2' ' HG3' ' A' ' 103' ' ' GLN . 29.4 tt0 -136.0 136.88 40.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.043 -0.526 . . . . 7.84 110.668 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.517 ' HG3' ' HG2' ' A' ' 102' ' ' GLN . 97.8 mt-30 57.28 88.02 0.06 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.122 -0.49 . . . . 8.92 111.056 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -93.59 73.29 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 7.22 110.421 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.335 -0.84 . . . . 4.85 111.154 179.635 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.738 0.304 . . . . 10.64 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.73 -59.02 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 10.63 110.903 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -84.0 117.19 23.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 7.83 110.787 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.9 tp -140.52 145.3 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 6.75 110.976 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.48 ' HG2' ' HG3' ' A' ' 14' ' ' ARG . 58.8 ttp180 -84.71 -77.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 7.1 110.992 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.48 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 86.1 mtm180 -140.67 88.04 11.05 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 7.27 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -83.69 130.84 5.24 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.628 2.219 . . . . 3.01 112.524 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -104.43 128.07 52.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 2.79 110.936 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 21' ' ' VAL . 38.4 t -131.34 176.96 7.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 1.87 110.714 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.06 -25.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 1.2 111.145 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.88 -57.98 10.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.128 -0.487 . . . . 1.04 110.807 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.47 -35.6 80.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 2.51 110.258 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 17' ' ' SER . 70.2 t -57.17 -25.52 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.878 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.41 -53.83 51.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.059 0.457 . . . . 2.37 110.554 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.894 -0.594 . . . . 0.87 110.612 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.4 tp -55.53 -52.57 63.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 1.32 110.978 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.574 ' HA ' HG21 ' A' ' 28' ' ' VAL . 33.8 m -65.76 -28.62 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 1.8 110.853 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.48 -22.03 64.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.199 0.523 . . . . 2.13 109.881 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.35 -32.7 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.685 -0.689 . . . . 1.16 111.696 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.574 HG21 ' HA ' ' A' ' 25' ' ' VAL . 13.0 m -85.99 -18.57 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 112.767 0.655 . . . . 1.08 112.767 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.53 -10.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.978 0.362 . . . . 0.73 111.978 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 55.6 pttt -100.83 -42.77 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.936 0.347 . . . . 2.16 111.936 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.586 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -124.86 31.97 5.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 1.69 111.587 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -80.55 -165.45 32.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.827 -0.701 . . . . 0.4 112.734 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.3 m -149.79 -44.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.651 0.262 . . . . 1.97 111.03 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.417 ' HA2' HH21 ' A' ' 35' ' ' ARG . . . -162.71 17.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.585 -0.817 . . . . 0.57 112.773 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.0 OUTLIER 47.51 17.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.982 0.42 . . . . 5.16 111.574 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -58.29 -47.21 84.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 4.68 111.336 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -62.98 -34.04 76.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 4.06 111.236 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.42 -61.26 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 2.19 110.905 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.452 HG11 ' HG ' ' A' ' 55' ' ' LEU . 18.9 t -58.35 -26.15 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 2.21 111.077 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HB3' HD11 ' A' ' 41' ' ' LEU . 81.8 mttt -67.3 -45.75 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 2.67 110.77 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD11 ' HB3' ' A' ' 40' ' ' LYS . 7.6 mp -112.28 24.89 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 2.6 111.078 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.9 t -55.91 -45.51 78.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 1.82 110.398 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -178.13 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 1.36 110.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 66.17 14.8 9.82 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.456 -0.942 . . . . 4.28 108.456 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.31 -44.84 12.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.716 -1.129 . . . . 2.1 111.199 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -119.74 26.42 9.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.83 110.817 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.0 0.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 1.22 111.54 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.09 -9.1 12.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.516 -0.311 . . . . 2.33 110.981 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m80 63.6 113.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.095 -0.502 . . . . 4.19 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.439 ' HE ' ' HB3' ' A' ' 54' ' ' ASP . 57.6 ttp180 -90.84 -57.75 2.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 6.14 111.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.489 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 12.2 m -157.24 158.82 36.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.516 -0.311 . . . . 1.43 110.624 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -62.76 -46.62 87.18 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 111.576 0.213 . . . . 1.15 111.576 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.6 t -76.86 -40.95 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.997 -0.281 . . . . 1.18 110.648 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.489 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.4 m-20 -56.94 -44.94 83.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.042 0.449 . . . . 0.65 109.836 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' HG ' HG11 ' A' ' 39' ' ' VAL . 6.9 tt -64.62 -36.25 83.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.024 -0.732 . . . . 2.36 109.024 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -68.04 -26.32 65.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.352 -0.84 . . . . 3.49 110.066 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -73.77 -38.9 64.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.917 -0.583 . . . . 2.04 110.463 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -65.84 -34.39 78.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 2.81 110.175 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.491 ' HA ' HD21 ' A' ' 62' ' ' LEU . 2.1 t-105 -74.84 -50.46 17.02 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.823 -0.626 . . . . 0.64 110.018 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' HG3' HD21 ' A' ' 83' ' ' LEU . 10.3 tmtt? -57.01 -40.91 77.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.744 -0.662 . . . . 1.68 110.971 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.5 m -72.28 -30.96 65.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.021 -0.536 . . . . 1.52 111.297 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -66.93 -31.23 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 1.85 110.86 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -89.19 -40.93 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 1.14 111.12 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.461 ' HB2' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -63.18 -33.35 75.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.334 . . . . 1.77 110.287 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.5 t -79.38 -17.54 54.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.86 111.369 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 1.34 111.248 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -160.97 19.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 3.75 111.339 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.458 HD11 ' NH1' ' A' ' 85' ' ' ARG . 48.7 mm -61.74 -27.46 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.404 -0.362 . . . . 1.43 110.635 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.439 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . 51.3 m 46.93 69.17 2.84 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.877 -0.602 . . . . 2.14 111.251 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 -28.5 8.48 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.751 2.301 . . . . 1.62 112.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.422 ' NE2' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -103.0 -27.64 12.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 5.06 110.879 -179.712 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 78.4 mt-30 -85.2 19.53 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 7.17 111.363 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -134.48 99.41 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 7.17 111.08 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 60.16 8.14 1.43 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 8.78 111.531 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.422 ' HA2' ' NE2' ' A' ' 71' ' ' GLN . . . 53.09 62.44 5.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.848 -0.691 . . . . 4.57 112.663 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -73.32 151.24 89.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.424 0.154 . . . . 6.42 110.906 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 56.0 Cg_endo -71.59 -87.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.285 1.99 . . . . 3.14 112.359 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.402 ' H ' ' HG2' ' A' ' 77' ' ' PRO . 9.4 m -92.96 115.92 65.7 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.283 -0.417 . . . . 3.03 110.995 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.479 ' HB2' HD12 ' A' ' 82' ' ' LEU . 71.9 Cg_endo -76.93 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.242 1.961 . . . . 1.69 112.535 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 -96.26 -35.64 11.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 3.95 110.818 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -42.23 -37.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.208 -0.906 . . . . 2.78 112.351 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -68.06 -59.81 2.97 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.686 0.279 . . . . 2.0 110.958 -179.435 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.423 HD21 ' HG3' ' A' ' 60' ' ' LYS . 56.6 mt -59.38 -24.56 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 1.39 111.004 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -71.33 -50.21 34.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 1.78 110.881 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.458 ' NH1' HD11 ' A' ' 68' ' ' ILE . 5.1 ptm180 -71.35 -19.9 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 2.48 110.818 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.3 t -75.67 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 1.44 111.111 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.02 -25.34 66.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.41 -0.359 . . . . 1.88 110.668 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -72.15 -48.93 39.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 1.76 110.228 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.77 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 1.15 110.876 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.445 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 69.0 t60 -61.96 -55.67 27.04 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.061 0.458 . . . . 0.79 110.341 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.04 59.33 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.714 -0.755 . . . . 0.35 111.706 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.1 t80 -65.73 -49.87 66.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.656 -0.128 . . . . 1.01 110.656 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.445 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 9.5 m0 -56.95 -56.51 20.73 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.226 0.536 . . . . 0.38 110.099 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.4 p -55.44 -41.02 72.29 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.586 -0.733 . . . . 1.07 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.89 -9.36 59.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 2.55 110.457 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' TYR . 43.8 tt0 -78.96 -29.23 43.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 3.77 109.865 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 66.24 29.04 9.83 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.465 -0.789 . . . . 2.72 110.669 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.8 ttt 56.37 63.32 2.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.817 -0.628 . . . . 3.04 110.751 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.414 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 36.0 tt0 51.6 78.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.0 -0.546 . . . . 4.71 111.046 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -132.56 -35.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 5.44 110.828 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.6 tp -106.41 -34.97 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 6.15 110.852 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -136.62 143.45 43.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 7.84 110.885 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -137.69 -2.99 1.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 8.92 110.991 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.83 79.92 4.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 7.22 110.805 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.8 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.091 -0.956 . . . . 4.85 111.125 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.724 0.297 . . . . 10.64 110.954 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.452 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -144.77 27.83 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 10.63 111.048 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -55.43 129.09 37.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 7.83 110.941 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.1 mm -76.13 144.92 11.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.105 -0.498 . . . . 6.75 110.982 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.535 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -73.88 -160.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 7.1 110.545 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.603 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . 47.2 ttp180 -145.57 -51.54 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.467 -0.333 . . . . 7.27 111.701 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.603 ' HD3' ' HB3' ' A' ' 14' ' ' ARG . 70.7 Cg_exo -51.46 -60.04 0.93 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.147 1.898 . . . . 3.01 112.496 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -133.44 147.04 51.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 2.79 111.275 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 21' ' ' VAL . 80.2 p -143.85 174.3 10.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 1.87 110.507 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.17 -29.65 12.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.917 0.389 . . . . 1.2 111.191 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -50.93 72.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.464 . . . . 1.04 110.906 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.38 -35.66 78.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 2.51 110.381 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 17' ' ' SER . 93.9 t -55.99 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.573 . . . . 1.0 110.613 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.36 -55.34 19.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.231 -0.44 . . . . 2.37 110.494 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.43 99.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.87 110.143 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.14 -25.41 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.709 -0.678 . . . . 1.32 110.138 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' HA ' HG23 ' A' ' 28' ' ' VAL . 10.6 t -76.88 -39.94 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 1.8 110.59 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.41 -21.51 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 2.13 110.346 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.85 -37.81 16.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 1.16 112.05 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.485 HG23 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.64 -17.96 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 112.857 0.688 . . . . 1.08 112.857 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.34 -10.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.913 0.338 . . . . 0.73 111.913 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -107.41 -46.76 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.866 0.321 . . . . 2.16 111.866 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.542 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -113.44 32.36 5.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.759 0.314 . . . . 1.69 111.444 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.8 -172.39 48.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.4 112.702 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 11.8 p -143.87 -42.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 1.97 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.08 24.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.008 -0.615 . . . . 0.57 112.438 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.439 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 5.5 ptm180 45.36 27.4 0.36 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.714 0.405 . . . . 5.16 111.572 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -56.48 -45.92 80.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.133 0.492 . . . . 4.68 110.479 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.446 HH21 HG12 ' A' ' 28' ' ' VAL . 24.8 ptt180 -71.76 -33.38 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 4.06 110.998 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.5 m-20 -65.97 -56.53 11.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 2.19 110.653 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.55 HG23 HD11 ' A' ' 55' ' ' LEU . 13.0 p -58.74 -31.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 2.21 111.072 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.426 ' HD3' ' HE2' ' A' ' 49' ' ' HIS . 21.2 mmmt -65.29 -45.69 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 2.67 111.34 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.59 25.18 11.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.482 -0.327 . . . . 2.6 111.425 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.37 -45.18 80.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 1.82 110.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB1' ' HG2' ' A' ' 45' ' ' GLU . . . -179.45 25.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.641 -0.709 . . . . 1.36 111.207 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 t80 67.59 14.37 9.53 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.186 -1.042 . . . . 4.28 108.186 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HG2' ' HB1' ' A' ' 43' ' ' ALA . 15.8 mm-40 -85.03 -51.18 6.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.558 -1.201 . . . . 2.1 110.975 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.88 29.91 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.996 0.426 . . . . 0.83 110.637 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -1.68 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 1.22 111.705 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -118.31 5.14 11.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.64 -0.255 . . . . 2.33 111.036 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' HE2' ' HD3' ' A' ' 40' ' ' LYS . 77.3 m-70 63.17 118.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.125 -0.489 . . . . 4.19 111.12 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -101.97 -68.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 6.14 111.321 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.44 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -156.24 158.62 37.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.298 -0.41 . . . . 1.43 110.55 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -46.68 82.73 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.576 0.213 . . . . 1.15 111.576 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.4 t -73.6 -38.38 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.968 -0.293 . . . . 1.18 110.518 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -62.28 -43.11 99.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.65 109.726 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.55 HD11 HG23 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.87 -38.83 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.551 -0.75 . . . . 2.36 109.244 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HA ' ' HB3' ' A' ' 59' ' ' TRP . 39.2 mmtt -79.81 -14.02 58.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.64 -0.709 . . . . 3.49 110.365 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.6 -43.03 70.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.825 -0.806 . . . . 2.04 108.825 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -78.66 -28.06 45.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.017 -0.992 . . . . 2.81 110.581 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 56' ' ' LYS . 2.6 t-105 -73.97 -53.43 10.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.107 0.48 . . . . 0.64 109.725 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -58.64 -39.26 80.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.68 110.73 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.9 m -72.16 -30.28 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.127 0.489 . . . . 1.52 110.432 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.21 -35.41 80.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.634 -0.712 . . . . 1.85 110.701 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.8 m -88.74 -37.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.478 -0.328 . . . . 1.14 111.075 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.514 ' HD1' HD22 ' A' ' 82' ' ' LEU . 51.3 t60 -63.22 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.77 111.014 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -85.24 -17.04 38.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 1.86 111.146 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.91 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 1.34 111.504 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -148.7 20.22 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.51 -0.314 . . . . 3.75 111.267 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.474 HG13 ' HA ' ' A' ' 64' ' ' HIS . 44.4 mm -57.42 -29.33 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 1.43 110.74 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m 48.1 77.64 0.45 Allowed Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 115.99 -0.55 . . . . 2.14 111.375 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -71.91 -13.44 29.15 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.671 2.247 . . . . 1.62 112.228 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -85.74 -39.54 17.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 5.06 111.201 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -61.34 -46.59 89.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.452 -0.34 . . . . 7.17 110.979 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 57.38 93.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 7.17 111.224 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -96.4 11.73 33.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 8.78 110.673 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.82 160.94 11.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.918 -0.658 . . . . 4.57 112.299 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 64.91 153.85 0.12 Allowed Pre-proline 0 N--CA 1.463 0.19 0 CA-C-O 120.617 0.246 . . . . 6.42 111.199 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.45 -76.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.755 2.303 . . . . 3.14 112.784 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.78 151.8 50.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 3.03 111.358 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.551 ' HB2' HD23 ' A' ' 82' ' ' LEU . 72.6 Cg_endo -76.11 82.89 2.09 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.395 2.063 . . . . 1.69 112.454 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -96.91 -28.26 14.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.531 0.682 . . . . 3.95 110.465 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -41.21 -40.78 1.67 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.303 -1.317 . . . . 2.78 112.921 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD23 ' HB2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -57.78 -60.73 3.26 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.779 -0.368 . . . . 2.0 111.56 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.75 -24.65 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 1.39 111.133 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.28 -48.1 62.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 1.78 111.242 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.46 -23.51 60.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 2.48 111.281 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.2 t -72.99 -58.51 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.561 -0.29 . . . . 1.44 111.211 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.88 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -72.16 -50.99 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 1.76 110.619 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.97 -44.75 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 1.15 111.232 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.473 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 45.8 t60 -62.13 -55.92 23.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.207 0.527 . . . . 0.79 110.328 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.21 -25.08 61.9 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.35 111.646 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 96' ' ' GLN . 35.5 t80 -67.15 -50.69 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.56 -0.163 . . . . 1.01 110.56 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.462 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 7.4 m0 -57.23 -56.03 27.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.233 0.54 . . . . 0.38 110.131 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -55.07 -39.4 69.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.578 -0.737 . . . . 1.07 111.038 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -86.4 -7.15 58.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 2.55 110.539 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' TYR . 62.5 tt0 -80.5 -28.71 37.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.962 -0.563 . . . . 3.77 110.095 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 61.59 43.17 10.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.795 -0.639 . . . . 2.72 110.506 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 56.2 ttp 61.29 76.15 0.38 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.647 -0.706 . . . . 3.04 111.33 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 58.99 9.99 1.42 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.929 -0.578 . . . . 4.71 112.046 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.627 ' HG3' ' H ' ' A' ' 102' ' ' GLN . 13.9 pt20 39.62 -155.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.374 0.421 . . . . 5.44 111.688 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.0 mt -101.38 19.08 18.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.539 -0.3 . . . . 6.15 111.042 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.627 ' H ' ' HG3' ' A' ' 100' ' ' GLN . 44.7 tt0 -150.22 170.78 18.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 7.84 110.564 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.463 ' H ' ' HG2' ' A' ' 102' ' ' GLN . 9.4 tt0 62.28 91.06 0.07 Allowed 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.94 0.4 . . . . 8.92 111.0 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -98.19 73.46 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 7.22 110.453 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.533 -0.746 . . . . 4.85 111.41 179.568 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.795 0.331 . . . . 10.64 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -96.45 -31.77 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 10.63 110.901 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.537 ' HE ' ' H ' ' A' ' 12' ' ' ILE . 6.9 tpm_? -79.92 131.06 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 7.83 110.803 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.537 ' H ' ' HE ' ' A' ' 11' ' ' ARG . 43.5 pt -97.71 176.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 6.75 111.183 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -118.81 0.72 11.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 7.1 110.929 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 7.0 mpt_? -88.16 150.78 47.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 7.27 110.727 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.17 -37.54 5.87 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.327 2.018 . . . . 3.01 112.232 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -133.33 162.4 31.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 2.79 111.008 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 21' ' ' VAL . 80.1 p -152.09 177.04 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.901 -0.59 . . . . 1.87 110.448 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.95 -35.4 22.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 1.2 110.92 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 22' ' ' GLU . . . -56.7 -37.92 71.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.957 -0.565 . . . . 1.04 110.518 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.76 -25.89 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 2.51 110.123 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 25' ' ' VAL . 44.3 t -58.12 -35.17 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.912 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 23' ' ' ALA . 11.8 pt-20 -49.1 -49.61 41.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.018 0.437 . . . . 2.37 110.127 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 22' ' ' GLU . . . -63.43 -42.08 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 0.87 109.692 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.9 -28.53 66.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.688 -0.687 . . . . 1.32 110.099 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.452 ' HA ' HG23 ' A' ' 28' ' ' VAL . 76.6 t -72.8 -41.33 61.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.014 -0.539 . . . . 1.8 110.288 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.83 -20.14 65.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.97 -0.559 . . . . 2.13 110.44 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . . . -88.1 -39.02 14.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 1.16 111.938 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.452 HG23 ' HA ' ' A' ' 25' ' ' VAL . 32.9 m -85.69 -17.81 9.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 112.807 0.669 . . . . 1.08 112.807 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -54.43 -15.81 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.853 0.316 . . . . 0.73 111.853 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 27' ' ' ALA . 18.5 pttm -105.25 -47.9 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.778 0.288 . . . . 2.16 111.778 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -104.71 28.24 7.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.79 0.329 . . . . 1.69 111.428 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.33 173.18 20.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.815 -0.707 . . . . 0.4 112.762 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.7 m -154.55 -35.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.322 . . . . 1.97 111.175 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.37 30.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.57 112.463 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HE ' HD13 ' A' ' 55' ' ' LEU . 0.1 OUTLIER 45.48 25.23 0.22 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.77 0.428 . . . . 5.16 111.633 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -59.4 -48.87 79.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.955 0.407 . . . . 4.68 110.284 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.48 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 4.06 110.314 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' CYS . 11.1 t70 -65.83 -63.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.598 -0.728 . . . . 2.19 110.718 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -52.72 -27.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 2.21 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -69.15 -54.85 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 2.67 111.67 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -113.85 25.94 10.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.001 0.371 . . . . 2.6 112.001 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASP . 52.0 t -50.47 -45.89 56.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.128 0.489 . . . . 1.82 109.921 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 176.73 26.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.159 -0.928 . . . . 1.36 110.975 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.7 t80 67.04 10.93 8.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.827 -1.175 . . . . 4.28 107.827 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -85.96 -48.49 8.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.489 -1.232 . . . . 2.1 111.329 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.12 24.67 12.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.83 110.982 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.39 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 1.22 111.107 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -107.31 -8.06 16.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 2.33 110.786 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 63.74 110.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 4.19 111.04 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -93.98 -66.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 6.14 111.137 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 15.0 m -153.57 154.21 33.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.43 110.744 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.26 -45.76 93.19 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.829 0.307 . . . . 1.15 111.829 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.1 t -77.3 -43.65 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.005 -0.278 . . . . 1.18 110.956 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.513 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -55.14 -50.27 69.71 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.03 0.443 . . . . 0.65 110.09 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 HD13 ' HE ' ' A' ' 35' ' ' ARG . 3.0 tm? -62.31 -37.46 85.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.285 -0.635 . . . . 2.36 109.285 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -66.23 -25.71 67.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.801 -0.636 . . . . 3.49 110.059 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 48.7 m-20 -72.48 -39.41 67.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.982 -0.554 . . . . 2.04 110.243 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.08 -33.56 76.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 2.81 110.196 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -75.54 -45.53 37.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.612 -0.722 . . . . 0.64 110.379 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -63.29 -33.94 76.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 1.68 111.075 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.642 ' HA ' ' ND1' ' A' ' 64' ' ' HIS . 15.0 t -79.85 -28.07 40.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.504 . . . . 1.52 110.481 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.55 -0.75 . . . . 1.85 110.538 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.78 -36.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 1.14 112.181 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.642 ' ND1' ' HA ' ' A' ' 61' ' ' THR . 0.5 OUTLIER -75.95 -32.53 59.58 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.667 -0.413 . . . . 1.77 110.689 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.3 m -78.87 -17.22 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 1.86 110.375 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.54 -72.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 1.34 111.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.623 ' HB2' ' HZ1' ' A' ' 67' ' ' LYS . 3.7 ttmp? -164.01 19.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 3.75 111.392 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 64' ' ' HIS . 27.4 mt -74.2 -20.15 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 1.43 110.546 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 m 51.62 75.04 0.69 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.928 -0.578 . . . . 2.14 111.409 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 59.0 Cg_endo -73.07 -63.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.573 2.182 . . . . 1.62 112.457 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.469 ' H ' ' HG2' ' A' ' 70' ' ' PRO . 4.5 pt20 -105.26 -11.96 16.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.297 -0.411 . . . . 5.06 111.195 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -58.87 -47.4 85.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.354 -0.384 . . . . 7.17 111.039 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -162.54 103.25 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 7.17 110.909 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 74' ' ' ARG . 7.2 tpm_? -167.2 -55.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 8.78 110.868 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.19 41.09 2.67 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.807 -0.711 . . . . 4.57 112.429 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -122.19 152.46 60.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.527 0.203 . . . . 6.42 110.807 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 55.4 Cg_endo -71.71 -85.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.399 2.066 . . . . 3.14 112.396 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.418 ' H ' ' HG2' ' A' ' 77' ' ' PRO . 47.0 t -91.43 131.45 36.28 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 3.03 110.939 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.52 ' HB2' HD13 ' A' ' 82' ' ' LEU . 59.6 Cg_endo -71.91 86.3 0.92 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.428 2.086 . . . . 1.69 112.247 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.65 -29.8 13.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 3.95 111.544 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 82' ' ' LEU . 12.3 pt-20 -48.79 -54.04 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 2.78 111.516 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.52 HD13 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -50.59 -57.45 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 2.0 111.446 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.07 -34.12 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 1.39 111.203 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -65.56 -50.7 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.78 111.195 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' HD2' HD11 ' A' ' 68' ' ' ILE . 17.6 ptp180 -71.14 -20.31 62.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 2.48 111.019 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 82' ' ' LEU . 27.0 t -70.99 -61.75 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.305 -0.407 . . . . 1.44 110.643 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.09 -25.11 67.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 1.88 110.378 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.38 -48.74 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.135 0.493 . . . . 1.76 110.051 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.7 98.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.58 -0.737 . . . . 1.15 110.893 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.63 -55.66 28.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.954 0.407 . . . . 0.79 110.311 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.74 -33.71 55.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.647 -0.787 . . . . 0.35 111.666 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 96' ' ' GLN . 23.8 t80 -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.533 -0.173 . . . . 1.01 110.533 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -55.93 -57.94 10.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.14 0.495 . . . . 0.38 110.32 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.9 p -58.12 -33.95 69.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.525 -0.761 . . . . 1.07 111.668 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -90.61 -6.66 54.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 2.55 111.026 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 92' ' ' TYR . 6.2 tp-100 -87.45 -26.68 23.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 3.77 110.357 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 68.23 31.16 5.35 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.648 -0.705 . . . . 2.72 110.678 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 42.5 ttm 58.92 23.9 11.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.862 -0.608 . . . . 3.04 110.982 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 55.95 64.35 1.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 4.71 110.884 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 59.91 33.37 21.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.173 -0.467 . . . . 5.44 110.962 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.2 mp 60.94 20.38 10.71 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.066 -0.516 . . . . 6.15 111.218 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.58 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -90.52 108.36 19.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 7.84 110.809 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -96.74 -5.63 38.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 8.92 111.007 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -87.41 80.43 8.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 7.22 110.757 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.22 -0.895 . . . . 4.85 111.041 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 10.64 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.537 ' HD3' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -118.26 1.03 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 10.63 110.784 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -118.41 98.56 6.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 7.83 110.68 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.436 HD12 ' N ' ' A' ' 12' ' ' ILE . 4.7 mp -123.88 135.67 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 6.75 111.041 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -137.79 -176.14 4.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 7.1 110.66 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -152.74 152.21 28.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 7.27 111.15 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.26 -53.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.584 2.189 . . . . 3.01 112.484 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -100.02 163.79 12.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 2.79 111.168 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.2 t -149.28 162.4 40.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.56 . . . . 1.87 110.597 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.39 -31.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.896 0.379 . . . . 1.2 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.48 -48.97 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 1.04 110.466 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -35.5 81.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.704 -0.68 . . . . 2.51 110.37 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -58.56 -32.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.561 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 40.2 tt0 -49.66 -57.28 7.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 2.37 110.412 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.11 94.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.87 110.036 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.56 -26.3 65.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.75 -0.659 . . . . 1.32 110.276 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.484 ' HA ' HG21 ' A' ' 28' ' ' VAL . 25.2 t -75.99 -40.33 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.94 -0.573 . . . . 1.8 110.377 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.02 -21.49 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 2.13 110.424 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.77 -37.53 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.917 -0.583 . . . . 1.16 112.098 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.484 HG21 ' HA ' ' A' ' 25' ' ' VAL . 33.5 m -85.66 -18.29 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 112.729 0.64 . . . . 1.08 112.729 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.51 -10.33 2.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.901 0.334 . . . . 0.73 111.901 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.54 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -106.14 -47.69 3.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.77 0.285 . . . . 2.16 111.77 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.54 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -113.72 32.98 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 1.69 111.454 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.5 51.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.4 112.795 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.0 m -151.97 -40.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.781 0.324 . . . . 1.97 110.973 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.07 19.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.836 -0.697 . . . . 0.57 112.607 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 43.26 25.01 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.782 0.433 . . . . 5.16 111.386 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -59.14 -41.71 88.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 4.68 111.118 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.75 -33.08 71.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 4.06 110.517 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.9 m-20 -66.61 -53.97 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.91 -0.586 . . . . 2.19 110.968 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.522 HG21 HD11 ' A' ' 55' ' ' LEU . 12.5 p -60.67 -30.79 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 2.21 111.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -66.79 -46.22 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 2.67 111.192 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.79 25.22 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 2.6 111.579 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' ASP . 41.6 t -52.3 -46.08 65.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.122 0.487 . . . . 1.82 109.905 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 179.93 24.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.32 -0.855 . . . . 1.36 111.046 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 t80 69.03 8.76 7.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 108.199 -1.037 . . . . 4.28 108.199 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.98 -51.49 6.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.566 -1.197 . . . . 2.1 111.228 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.05 25.94 8.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.83 110.996 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -8.75 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 1.22 111.043 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.87 -8.0 20.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 2.33 110.757 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m80 63.34 109.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 4.19 111.162 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -73.45 -76.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 6.14 110.959 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.504 HG23 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -158.06 175.95 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.272 -0.422 . . . . 1.43 110.483 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.504 ' H ' HG23 ' A' ' 51' ' ' THR . 0.7 OUTLIER -63.76 -47.47 80.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.647 0.24 . . . . 1.15 111.647 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 99.2 t -78.44 -39.1 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.837 -0.345 . . . . 1.18 110.693 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 -40.74 84.68 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.136 0.494 . . . . 0.65 109.913 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.522 HD11 HG21 ' A' ' 39' ' ' VAL . 5.9 tt -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.64 -0.709 . . . . 2.36 109.604 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.529 ' HZ2' ' HB2' ' A' ' 90' ' ' HIS . 16.5 tppt? -68.34 -16.84 64.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 3.49 110.1 179.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.13 -48.83 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 2.04 109.99 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -63.07 -31.26 72.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 2.81 110.282 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -75.4 -48.18 24.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.737 -0.665 . . . . 0.64 110.226 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.56 ' HD2' HD13 ' A' ' 82' ' ' LEU . 1.6 ttpm? -55.74 -40.39 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.731 -0.668 . . . . 1.68 110.387 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.1 m -77.15 -25.24 51.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.712 -0.676 . . . . 1.52 110.364 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.73 97.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 1.85 110.205 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.482 ' O ' HG12 ' A' ' 68' ' ' ILE . 18.1 m -83.98 -43.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 1.14 110.697 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -50.22 -53.6 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.045 -0.525 . . . . 1.77 110.673 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -57.39 -27.46 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 1.86 111.704 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.96 -88.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.619 -0.264 . . . . 1.34 111.233 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -152.82 24.47 0.57 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.715 -0.22 . . . . 3.75 111.377 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' ' 63' ' ' VAL . 46.7 mm -60.26 -30.42 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.972 -0.291 . . . . 1.43 110.558 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.8 t 39.77 71.51 1.17 Allowed Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 115.933 -0.576 . . . . 2.14 111.55 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.404 ' HG2' HD22 ' A' ' 82' ' ' LEU . 10.9 Cg_exo -71.83 -1.26 9.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.82 2.347 . . . . 1.62 112.289 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.588 HE21 ' H ' ' A' ' 75' ' ' GLY . 14.0 mm100 -105.07 -48.07 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 5.06 111.152 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 71' ' ' GLN . 15.5 mm100 71.95 -23.08 0.19 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.029 -0.532 . . . . 7.17 111.387 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 71' ' ' GLN . 16.2 ptm180 -178.78 29.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.241 -0.436 . . . . 7.17 110.509 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 61.46 93.75 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.034 -0.53 . . . . 8.78 110.504 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.588 ' H ' HE21 ' A' ' 71' ' ' GLN . . . -70.19 -110.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.843 -0.694 . . . . 4.57 112.625 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.579 ' H ' ' HD2' ' A' ' 77' ' ' PRO . 10.3 tp10 -167.8 -51.61 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.617 0.228 . . . . 6.42 111.617 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.579 ' HD2' ' H ' ' A' ' 76' ' ' GLU . 62.7 Cg_endo -71.93 -98.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.938 1.758 . . . . 3.14 112.672 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 m -149.85 152.97 35.44 Favored Pre-proline 0 CA--C 1.53 0.194 0 CA-C-N 116.798 -0.183 . . . . 3.03 111.263 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.2 103.01 1.6 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.517 2.144 . . . . 1.69 112.134 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -96.28 -26.81 15.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 3.95 111.182 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.14 -47.46 62.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.913 -0.585 . . . . 2.78 111.643 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.56 HD13 ' HD2' ' A' ' 60' ' ' LYS . 1.1 pp -58.38 -36.35 73.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.623 -0.262 . . . . 2.0 111.573 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.4 mt -77.64 -29.09 51.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 1.39 111.205 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -71.15 -50.42 33.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.409 . . . . 1.78 111.379 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.68 -31.26 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.399 -0.364 . . . . 2.48 111.811 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 60' ' ' LYS . 5.0 t -70.18 -57.2 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.655 0.264 . . . . 1.44 111.178 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.84 -30.61 67.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.955 0.407 . . . . 1.88 110.276 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -73.55 -41.33 63.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 1.76 110.217 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.41 21.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.606 -0.725 . . . . 1.15 110.924 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.529 ' HB2' ' HZ2' ' A' ' 56' ' ' LYS . 59.9 t60 -58.94 -51.41 70.17 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.243 0.544 . . . . 0.79 110.189 179.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.77 -30.95 57.56 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.386 -0.824 . . . . 0.35 111.833 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.85 -40.16 83.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.682 0.277 . . . . 1.01 110.294 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -58.72 -55.97 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.38 110.51 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -67.22 -48.52 67.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.77 -0.65 . . . . 1.07 112.216 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.24 -64.33 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.147 0.425 . . . . 2.55 112.147 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -64.27 -18.4 64.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.018 -0.273 . . . . 3.77 111.334 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 57.37 70.0 0.69 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.416 . . . . 2.72 111.343 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.406 ' C ' ' H ' ' A' ' 100' ' ' GLN . 65.8 mtt 52.99 55.73 8.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.024 -0.535 . . . . 3.04 111.436 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 98' ' ' MET . 64.6 tt0 74.05 -37.29 0.36 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.065 -0.516 . . . . 4.71 111.741 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 98' ' ' MET . 21.8 tm0? -169.95 -76.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.762 0.315 . . . . 5.44 110.748 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.7 -30.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.606 . . . . 6.15 109.583 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.564 ' HG3' ' H ' ' A' ' 104' ' ' ASN . 56.9 tp60 -63.58 140.53 58.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.528 -0.76 . . . . 7.84 110.83 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.88 -29.02 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 8.92 111.039 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.564 ' H ' ' HG3' ' A' ' 102' ' ' GLN . 18.0 m120 -73.05 80.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 7.22 110.814 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG12 HD22 ' A' ' 31' ' ' LEU . 2.6 p . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.539 -0.743 . . . . 4.85 111.166 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.712 0.291 . . . . 10.64 110.706 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -49.71 -34.48 18.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.63 111.206 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -92.42 131.55 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 7.83 110.832 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mm -85.54 135.75 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 6.75 111.066 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -142.19 146.86 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 7.1 111.059 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.498 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 2.8 mmp_? -137.84 128.49 15.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 7.27 110.835 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -79.99 -38.44 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.471 2.114 . . . . 3.01 112.629 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -120.02 166.6 13.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.026 0.441 . . . . 2.79 111.317 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' HG23 ' A' ' 21' ' ' VAL . 42.7 t -162.87 171.1 17.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 1.87 110.339 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.413 ' N ' ' HG ' ' A' ' 17' ' ' SER . 8.3 p -46.13 -35.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.795 0.331 . . . . 1.2 111.485 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.85 84.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 1.04 110.842 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.35 -33.74 69.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 2.51 110.402 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 25' ' ' VAL . 65.2 t -56.21 -34.74 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.608 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.49 -54.9 22.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.229 -0.441 . . . . 2.37 110.309 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.27 83.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.87 110.212 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.09 -31.22 66.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.654 -0.703 . . . . 1.32 110.427 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.457 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.6 t -69.32 -42.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 1.8 110.377 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -66.78 -20.37 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 2.13 110.437 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.09 -36.06 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 1.16 112.002 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.457 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.6 m -85.99 -18.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 112.794 0.664 . . . . 1.08 112.794 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -57.83 -10.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.01 0.374 . . . . 0.73 112.01 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.585 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 56.5 pttt -100.7 -47.76 4.73 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.863 0.32 . . . . 2.16 111.863 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.585 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -118.6 32.56 6.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.774 0.321 . . . . 1.69 111.498 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.8 -179.51 28.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.79 -0.719 . . . . 0.4 112.756 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.5 m -151.22 -37.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.303 . . . . 1.97 110.829 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 176.91 28.49 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.57 112.474 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 44.39 28.94 0.34 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.709 0.29 . . . . 5.16 111.495 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -64.54 -48.91 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 4.68 110.194 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.53 -26.51 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 4.06 110.726 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -57.22 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 2.19 110.241 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.609 HG23 HD13 ' A' ' 55' ' ' LEU . 32.7 m -61.36 -27.22 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.117 -0.492 . . . . 2.21 110.448 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.52 -51.75 61.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.793 -0.64 . . . . 2.67 111.362 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.7 mt -113.25 25.02 11.7 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.133 0.42 . . . . 2.6 112.133 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.8 p -57.9 -45.81 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.706 -0.479 . . . . 1.82 109.706 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.43 27.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.28 -0.873 . . . . 1.36 110.715 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.1 t80 66.77 17.63 10.59 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.449 -1.315 . . . . 4.28 107.449 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.38 -54.66 4.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.043 -1.435 . . . . 2.1 111.164 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -97.99 17.05 19.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.83 110.777 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -5.96 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 1.22 111.429 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -95.4 -25.78 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.546 -0.297 . . . . 2.33 110.569 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 55.34 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.864 -0.607 . . . . 4.19 111.324 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -71.28 -83.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 6.14 111.036 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -147.17 179.94 7.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.417 -0.356 . . . . 1.43 110.737 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.69 -46.18 91.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.056 0.391 . . . . 1.15 112.056 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.486 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 93.2 t -79.85 -40.36 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.037 -0.265 . . . . 1.18 111.407 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.984 0.421 . . . . 0.65 110.437 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.609 HD13 HG23 ' A' ' 39' ' ' VAL . 9.7 tt -65.7 -51.64 57.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 2.36 110.112 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -63.72 -20.87 66.08 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 3.49 109.955 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -50.92 51.64 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.535 -0.543 . . . . 2.04 109.535 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -61.37 -25.65 67.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.597 -0.729 . . . . 2.81 109.702 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -76.91 -47.48 20.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.522 -0.763 . . . . 0.64 109.993 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.496 ' NZ ' ' HB3' ' A' ' 60' ' ' LYS . 1.4 ttpm? -58.59 -33.62 70.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 1.68 110.51 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.433 ' HA ' ' HB3' ' A' ' 64' ' ' HIS . 42.3 m -82.71 -26.59 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.623 . . . . 1.52 109.778 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.18 -35.48 80.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 1.85 109.948 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -89.46 -42.97 14.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 1.14 110.37 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.526 ' HB2' HD12 ' A' ' 82' ' ' LEU . 14.1 t60 -53.26 -35.77 60.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.959 -0.564 . . . . 1.77 110.919 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -88.58 -17.32 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 1.86 111.401 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.05 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 1.34 111.603 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.604 ' HB2' ' HZ2' ' A' ' 67' ' ' LYS . 3.6 ttmp? -161.07 21.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.985 0.421 . . . . 3.75 110.971 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.1 mm -58.59 -26.58 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 1.43 111.035 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.474 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . 56.4 m 55.92 73.52 0.83 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 2.14 110.892 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.63 -65.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.998 2.466 . . . . 1.62 112.31 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -84.81 -2.91 58.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 5.06 111.042 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.474 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 29.2 mm-40 -80.94 2.98 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 7.17 110.813 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -128.77 174.32 9.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 7.17 110.906 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -97.97 160.06 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 8.78 110.94 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.85 -164.68 46.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 4.57 112.493 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 40.9 tt0 63.93 119.62 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 122.102 0.161 . . . . 6.42 111.098 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 76' ' ' GLU . 12.1 Cg_exo -71.25 -75.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.495 2.13 . . . . 3.14 112.166 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.413 HG22 ' HG3' ' A' ' 80' ' ' GLN . 28.4 m -115.97 150.96 45.95 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 3.03 111.182 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.45 ' HB2' HD11 ' A' ' 82' ' ' LEU . 58.8 Cg_endo -71.97 94.3 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.419 2.08 . . . . 1.69 112.288 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.413 ' HG3' HG22 ' A' ' 78' ' ' VAL . 49.4 mt-30 -96.2 -26.03 15.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 3.95 110.988 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -48.3 -35.6 12.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 2.78 111.614 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -65.09 -59.92 3.6 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.385 -0.371 . . . . 2.0 110.605 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.89 -36.36 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 1.39 110.902 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.65 -51.5 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.91 -0.586 . . . . 1.78 111.427 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.71 -20.02 64.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.639 -0.255 . . . . 2.48 111.603 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.457 HG21 ' HG3' ' A' ' 60' ' ' LYS . 53.2 t -75.46 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.648 0.261 . . . . 1.44 111.301 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.51 -24.64 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 1.88 111.246 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -76.83 -55.75 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 1.76 110.694 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.53 85.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 1.15 110.931 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.441 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 60.7 t60 -58.66 -55.69 31.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.209 0.528 . . . . 0.79 110.378 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -31.89 61.6 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.741 -0.742 . . . . 0.35 111.846 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -67.57 -42.41 82.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.607 0.242 . . . . 1.01 110.675 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.441 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 26.7 m0 -58.0 -54.08 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.415 . . . . 0.38 110.299 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 p -67.11 -49.76 63.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.616 . . . . 1.07 111.963 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -65.32 -62.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 2.55 111.705 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -61.35 -19.58 62.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.733 0.302 . . . . 3.77 111.018 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 59.53 44.91 14.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 2.72 111.016 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 67.0 mtm 58.89 45.88 14.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 3.04 110.863 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 58.44 77.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.926 -0.579 . . . . 4.71 110.833 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 59.35 -174.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.586 . . . . 5.44 111.08 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.9 mp -98.73 -48.59 4.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 6.15 110.829 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.554 ' HG2' ' HG2' ' A' ' 103' ' ' GLN . 29.1 tt0 -68.18 141.89 55.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 7.84 110.768 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.554 ' HG2' ' HG2' ' A' ' 102' ' ' GLN . 29.6 mm-40 58.67 90.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 8.92 111.071 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -83.62 72.68 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 7.22 110.308 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.416 HG11 ' HD2' ' A' ' 30' ' ' LYS . 39.8 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.311 -0.852 . . . . 4.85 111.199 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.738 0.304 . . . . 8.02 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 58.47 19.4 6.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.119 -0.491 . . . . 11.42 111.138 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -86.41 131.98 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 8.87 110.941 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.452 HG23 ' HB3' ' A' ' 15' ' ' PRO . 15.6 tt -105.27 144.37 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 6.9 111.053 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -81.36 98.5 8.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 8.68 111.026 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 10.2 mpt_? 54.14 85.4 0.19 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.091 -0.504 . . . . 9.47 111.223 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' HB3' HG23 ' A' ' 12' ' ' ILE . 70.9 Cg_endo -75.53 -39.5 1.03 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.497 2.131 . . . . 2.96 112.365 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -85.99 161.14 19.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.094 -0.503 . . . . 1.64 111.222 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -166.74 -176.68 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.6 . . . . 2.1 110.461 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.98 -32.61 15.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.897 0.379 . . . . 1.36 110.856 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.53 73.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.065 -0.516 . . . . 1.03 110.484 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.73 -35.63 81.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 2.03 110.222 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' O ' HG21 ' A' ' 25' ' ' VAL . 92.0 t -56.05 -33.57 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.87 -0.604 . . . . 1.7 110.502 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.4 tm-20 -50.45 -53.73 27.46 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.186 -0.461 . . . . 2.29 110.16 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.73 96.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.86 110.006 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.04 -27.49 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.669 -0.696 . . . . 1.25 110.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' HA ' HG22 ' A' ' 28' ' ' VAL . 40.4 t -73.44 -42.76 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 2.65 110.444 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.88 -21.66 66.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 3.01 110.537 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.6 -35.8 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 1.17 112.099 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.9 m -85.96 -18.49 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.601 0.593 . . . . 1.12 112.601 -178.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.24 -10.15 14.43 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.932 0.345 . . . . 1.13 111.932 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -104.01 -45.39 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.181 0.437 . . . . 1.93 112.181 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.571 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.1 pp -122.24 32.14 5.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.878 0.325 . . . . 1.36 111.878 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.96 -173.58 48.85 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.656 -0.783 . . . . 0.43 112.76 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.499 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.2 m -141.17 -38.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.015 0.436 . . . . 1.9 110.646 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . -174.82 25.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.65 112.22 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.496 HH11 HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER 40.87 27.52 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.115 0.566 . . . . 4.95 111.817 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.424 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 34.9 m95 -58.25 -44.28 88.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 5.59 110.317 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -68.72 -23.91 64.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.78 -0.645 . . . . 3.89 110.63 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 3.4 m-20 -73.8 -52.03 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.78 110.94 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.468 HG12 HD11 ' A' ' 55' ' ' LEU . 13.9 p -64.53 -30.58 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 2.65 111.333 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.494 ' HB3' HD12 ' A' ' 41' ' ' LEU . 14.3 mptt -73.11 -41.85 63.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.465 -0.334 . . . . 3.75 111.236 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 40' ' ' LYS . 7.9 mp -112.77 24.74 12.11 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.877 0.325 . . . . 3.0 111.877 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.55 -46.05 84.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 2.23 109.916 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -176.73 25.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 1.43 110.846 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 66.77 11.98 8.58 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.559 -0.904 . . . . 4.2 108.559 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -85.91 -51.8 6.14 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.613 -1.176 . . . . 2.12 111.389 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -105.76 24.24 12.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 1.46 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.71 -7.16 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.12 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.79 -0.04 57.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.986 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 37.81 94.23 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.602 0.564 . . . . 6.0 112.171 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.71 -69.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 6.69 111.098 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -160.0 178.6 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 1.46 110.611 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.51 ' H ' HG22 ' A' ' 51' ' ' THR . 0.9 OUTLIER -63.59 -48.04 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.083 -0.247 . . . . 0.83 111.589 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.2 t -79.78 -37.59 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.611 0.243 . . . . 1.2 110.841 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.51 -52.97 62.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.996 0.427 . . . . 0.71 110.519 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.496 HD12 HH11 ' A' ' 35' ' ' ARG . 0.4 OUTLIER -63.19 -37.73 88.4 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.571 -0.529 . . . . 2.22 109.571 179.218 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 tppt? -66.37 -26.74 67.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.998 -0.546 . . . . 3.96 109.9 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.23 -48.02 66.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.702 -0.681 . . . . 2.08 109.712 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -56.61 -37.04 70.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 3.47 109.738 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.51 -45.84 71.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.89 109.968 179.004 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 61' ' ' THR . 5.1 tmtt? -58.73 -33.33 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.539 -0.755 . . . . 2.31 110.726 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.407 ' N ' ' HD3' ' A' ' 60' ' ' LYS . 57.6 m -84.6 -27.09 27.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.281 0.562 . . . . 1.77 110.111 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -34.63 77.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.177 -0.92 . . . . 1.98 110.578 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.42 -31.81 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 1.07 111.198 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.454 ' HA ' HG13 ' A' ' 68' ' ' ILE . 76.4 t60 -69.73 -38.39 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 2.08 110.89 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.7 m -78.03 -17.35 57.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.086 -0.506 . . . . 2.4 111.028 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 1.24 111.409 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -161.68 19.98 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.531 -0.304 . . . . 3.93 111.344 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.454 HG13 ' HA ' ' A' ' 64' ' ' HIS . 46.3 mm -59.62 -28.08 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 1.74 110.766 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 53.0 m 53.98 92.58 0.06 OUTLIER Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 115.987 -0.551 . . . . 2.05 111.599 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.15 -5.16 14.94 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.78 2.32 . . . . 1.6 111.953 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.434 ' C ' ' H ' ' A' ' 73' ' ' ARG . 29.2 mm-40 -105.36 27.69 8.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 3.37 111.381 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 69' ' ' SER . 43.0 mt-30 -65.15 1.57 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.319 . . . . 4.69 111.392 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.604 ' HG2' ' H ' ' A' ' 74' ' ' ARG . 26.0 ttp180 60.87 -158.17 0.33 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.493 -0.321 . . . . 6.55 110.723 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.604 ' H ' ' HG2' ' A' ' 73' ' ' ARG . 80.6 mtp180 61.48 -173.55 0.14 Allowed 'General case' 0 C--O 1.231 0.1 0 CA-C-N 116.463 -0.335 . . . . 9.76 111.003 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.98 88.51 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.849 -0.691 . . . . 3.91 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -162.87 86.41 1.38 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.563 0.221 . . . . 5.92 110.861 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 54.0 Cg_endo -71.63 -84.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.406 2.071 . . . . 2.37 112.316 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 47.5 t -87.75 133.78 37.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 2.45 110.831 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' VAL . 11.9 Cg_exo -70.95 94.91 0.64 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.477 2.118 . . . . 1.38 112.268 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -96.35 -24.49 16.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.498 . . . . 2.53 110.998 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -47.68 -38.06 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.806 -0.634 . . . . 1.84 111.609 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.541 HD11 ' N ' ' A' ' 83' ' ' LEU . 2.3 pp -60.67 -51.7 68.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.523 -0.308 . . . . 2.18 111.166 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.541 ' N ' HD11 ' A' ' 82' ' ' LEU . 16.9 mt -63.86 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 1.39 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -68.57 -47.26 67.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 2.04 111.512 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -75.37 -29.51 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 3.06 111.878 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.44 -52.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 1.22 111.232 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.39 -31.04 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 2.04 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.15 -57.81 4.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 1.85 110.821 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.14 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.952 -0.567 . . . . 1.04 111.156 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.3 t-160 -61.42 -55.32 32.75 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.139 0.495 . . . . 2.09 110.39 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.14 -29.74 56.57 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.39 111.919 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 96' ' ' GLN . 19.9 t80 -67.13 -47.12 72.06 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.526 -0.176 . . . . 1.08 110.526 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.499 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 18.5 m0 -55.95 -55.52 31.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.502 . . . . 0.49 110.14 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p -59.39 -48.89 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 1.12 110.958 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -69.38 -14.62 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 2.88 110.449 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' HB3' ' O ' ' A' ' 93' ' ' TRP . 6.7 tt0 -76.46 -33.68 58.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.665 -0.494 . . . . 3.92 109.665 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' HB3' ' HG3' ' A' ' 99' ' ' GLN . 25.1 tt0 65.49 24.47 11.87 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.325 -0.852 . . . . 2.6 110.713 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 44.7 tpp 59.88 6.84 0.98 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 3.28 111.079 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.508 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 46.7 mt-30 -82.15 -11.92 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 5.51 110.796 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 58.46 30.83 20.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 6.61 110.491 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.508 ' HG ' ' HB2' ' A' ' 99' ' ' GLN . 83.7 mt -49.12 -33.17 11.35 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.035 -0.53 . . . . 5.22 111.21 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -113.29 108.12 16.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 5.82 110.785 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -91.64 5.26 50.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 5.78 110.965 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -80.71 80.26 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 6.23 110.801 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.281 -0.866 . . . . 4.19 111.054 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.662 0.268 . . . . 8.02 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 58.29 21.22 7.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.459 . . . . 11.42 110.984 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -60.31 154.35 20.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 8.87 110.802 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.0 mm -55.21 125.3 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 6.9 111.049 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -69.08 98.4 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 8.68 111.055 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -169.92 67.41 0.57 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 9.47 110.904 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.71 125.63 8.31 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.52 2.147 . . . . 2.96 112.328 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.98 141.9 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 1.64 111.014 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.4 m -131.75 179.79 5.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 2.1 110.674 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.513 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.2 p -59.9 -25.99 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.142 0.496 . . . . 1.36 110.685 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.78 85.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.57 . . . . 1.03 110.402 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.06 -40.75 30.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.752 -0.658 . . . . 2.03 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 18' ' ' VAL . 2.8 p -61.29 -24.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.366 -0.379 . . . . 1.7 110.521 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' HA ' HD13 ' A' ' 62' ' ' LEU . 36.8 tt0 -54.32 -49.1 70.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.378 0.608 . . . . 2.29 110.136 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.26 73.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.644 -0.707 . . . . 0.86 110.364 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.65 -42.96 93.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 1.25 111.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.557 ' HA ' HG23 ' A' ' 28' ' ' VAL . 32.2 m -73.75 -27.0 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 2.65 110.811 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -73.82 -21.27 60.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 3.01 110.046 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.5 -38.48 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.783 -0.644 . . . . 1.17 111.55 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.557 HG23 ' HA ' ' A' ' 25' ' ' VAL . 32.6 m -82.98 -18.06 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.363 -0.381 . . . . 1.12 111.974 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -22.94 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.672 0.272 . . . . 1.13 111.547 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 20.6 ptmt -96.91 -47.72 5.72 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.249 0.463 . . . . 1.93 112.249 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.521 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.5 pp -110.34 33.69 4.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.867 0.365 . . . . 1.36 111.567 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -76.33 -175.19 39.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.87 -0.681 . . . . 0.43 112.782 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.476 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 62.4 m -157.12 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 1.9 110.948 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.429 ' C ' ' HG3' ' A' ' 35' ' ' ARG . . . -176.6 24.48 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.694 -0.765 . . . . 0.65 112.731 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' HG3' ' C ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 44.63 29.8 0.45 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.754 0.311 . . . . 4.95 111.361 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -62.59 -47.96 81.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.177 0.513 . . . . 5.59 110.258 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -65.05 -36.82 85.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.777 -0.647 . . . . 3.89 110.43 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' CYS . 8.3 m-20 -63.77 -63.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.78 110.846 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.469 HG23 HD13 ' A' ' 55' ' ' LEU . 9.0 p -50.1 -30.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.41 -0.359 . . . . 2.65 111.549 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -68.3 -54.31 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.471 -0.331 . . . . 3.75 111.756 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.6 26.04 10.73 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.143 0.423 . . . . 3.0 112.143 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' ASP . 41.4 t -51.63 -45.99 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 2.23 110.035 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.18 25.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.157 -0.929 . . . . 1.43 111.006 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.5 t80 67.41 11.18 8.25 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.98 -1.118 . . . . 4.2 107.98 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -85.76 -47.7 9.5 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.496 -1.229 . . . . 2.12 111.357 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.4 25.44 11.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.46 111.095 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.62 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.261 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -108.33 -8.9 15.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 2.25 110.937 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 62.63 110.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.051 -0.522 . . . . 6.0 111.045 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -95.9 -69.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 6.69 111.223 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.484 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 17.5 m -149.73 155.06 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 1.46 110.754 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.75 -46.4 89.76 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 111.803 0.297 . . . . 0.83 111.803 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.0 t -75.5 -42.05 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.954 -0.299 . . . . 1.2 110.781 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.4 m-20 -55.82 -47.62 76.86 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.068 0.461 . . . . 0.71 109.889 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD13 HG23 ' A' ' 39' ' ' VAL . 18.5 tp -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.854 -0.612 . . . . 2.22 109.393 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HZ1' ' HD1' ' A' ' 90' ' ' HIS . 17.1 tppt? -69.32 -24.47 63.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.568 -0.742 . . . . 3.96 110.163 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.77 -43.21 63.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 2.08 110.349 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.85 -28.78 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 3.47 110.077 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -72.49 -49.27 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.674 -0.693 . . . . 0.89 110.174 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' HZ3' ' HG ' ' A' ' 83' ' ' LEU . 21.9 ptmt -68.5 -32.51 72.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.585 -0.734 . . . . 2.31 111.103 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.9 m -75.4 -25.29 57.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.47 0.653 . . . . 1.77 109.832 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -73.44 -36.34 65.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.146 -0.934 . . . . 1.98 110.224 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.62 -24.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 1.07 111.234 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.518 ' HD1' ' HB3' ' A' ' 82' ' ' LEU . 66.0 t60 -75.99 -42.67 47.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 2.08 110.685 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 m -74.08 -17.17 60.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 2.4 110.85 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.81 -71.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 1.24 111.439 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -164.67 29.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 3.93 111.312 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.492 HG13 ' HA ' ' A' ' 64' ' ' HIS . 40.6 mm -69.03 -25.72 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.375 -0.375 . . . . 1.74 110.787 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.1 m 50.97 73.83 0.91 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 2.05 111.172 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.498 ' HG3' ' NE2' ' A' ' 64' ' ' HIS . 71.8 Cg_endo -78.25 -7.5 16.11 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.569 2.179 . . . . 1.6 112.535 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -73.45 -47.26 43.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 3.37 110.909 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 55.33 34.5 23.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.095 -0.502 . . . . 4.69 110.815 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 62.81 35.14 13.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.969 -0.56 . . . . 6.55 110.998 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 63.08 110.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.069 -0.514 . . . . 9.76 111.233 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.52 60.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.858 -0.687 . . . . 3.91 112.476 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.58 155.28 36.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.415 0.15 . . . . 5.92 111.099 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 55.9 Cg_endo -71.81 -86.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.383 2.055 . . . . 2.37 112.408 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.535 HG21 ' HG3' ' A' ' 80' ' ' GLN . 30.6 m -136.73 153.45 75.76 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 2.45 111.061 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.68 90.02 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.475 2.117 . . . . 1.38 112.45 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.535 ' HG3' HG21 ' A' ' 78' ' ' VAL . 48.5 mt-30 -97.99 -25.37 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 2.53 110.886 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.75 -58.19 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.58 -0.736 . . . . 1.84 112.343 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.518 ' HB3' ' HD1' ' A' ' 64' ' ' HIS . 2.0 pt? -56.94 -48.8 77.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.612 0.227 . . . . 2.18 111.612 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.443 ' HG ' ' HZ3' ' A' ' 60' ' ' LYS . 11.4 mt -57.87 -32.56 67.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.709 0.29 . . . . 1.39 111.488 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.11 -52.73 9.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 2.04 111.806 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.88 -21.27 64.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.88 0.326 . . . . 3.06 111.88 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 49.0 t -84.76 -60.44 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.686 -0.234 . . . . 1.22 111.615 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.64 -26.37 61.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.749 0.309 . . . . 2.04 110.842 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -72.87 -49.59 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 1.85 110.357 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' A' ' 92' ' ' TYR . . . -57.74 -46.8 83.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.724 -0.671 . . . . 1.04 111.229 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.484 ' HD1' ' HZ1' ' A' ' 56' ' ' LYS . 67.7 t60 -60.71 -55.59 31.36 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.111 0.481 . . . . 2.09 110.343 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.34 -24.94 62.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.7 -0.762 . . . . 0.39 111.804 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLN . 38.8 t80 -66.65 -50.86 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.654 -0.128 . . . . 1.08 110.654 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 5.6 m0 -58.44 -54.23 49.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.225 0.536 . . . . 0.49 109.967 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.7 p -54.72 -38.9 67.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.534 -0.757 . . . . 1.12 110.722 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -87.31 -7.38 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 2.88 110.31 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 92' ' ' TYR . 7.7 tt0 -77.05 -31.19 56.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 3.92 109.824 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' A' ' 100' ' ' GLN . 47.8 tp60 64.73 44.68 3.67 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.514 -0.766 . . . . 2.6 110.766 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 55.61 71.33 0.56 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.832 -0.622 . . . . 3.28 110.732 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 72.94 -61.88 0.49 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.815 -0.63 . . . . 5.51 111.186 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.409 ' HB2' ' HB3' ' A' ' 97' ' ' GLN . 64.6 tt0 60.3 -86.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 6.61 111.25 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.9 mt -141.64 20.04 2.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.829 0.347 . . . . 5.22 110.982 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.547 HE21 ' H ' ' A' ' 104' ' ' ASN . 24.4 tp60 -114.67 119.99 38.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 5.82 110.889 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.21 8.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 5.78 111.107 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.547 ' H ' HE21 ' A' ' 102' ' ' GLN . 45.9 t30 -81.14 80.25 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 6.23 110.835 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.408 HG21 ' HE3' ' A' ' 30' ' ' LYS . 45.0 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.316 -0.849 . . . . 4.19 111.02 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.84 0.352 . . . . 8.02 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.79 -30.6 71.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 11.42 110.86 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -77.52 146.75 36.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 8.87 110.843 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.85 138.41 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 6.9 111.019 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -83.86 -165.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 8.68 110.817 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 56.74 85.91 0.18 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 9.47 110.996 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.45 -48.8 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.455 2.103 . . . . 2.96 112.458 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -104.17 159.56 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 1.64 111.23 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.422 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 52.9 m -143.09 170.49 15.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 2.1 110.556 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -51.19 -26.87 5.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.383 -0.372 . . . . 1.36 111.176 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.78 11.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.17 -0.468 . . . . 1.03 111.053 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.03 110.476 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 17' ' ' SER . 95.9 t -58.1 -27.22 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 1.7 110.82 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.22 -48.73 73.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 2.29 110.552 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.76 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.86 110.489 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.17 -49.54 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.698 -0.683 . . . . 1.25 110.711 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.582 ' HA ' HG21 ' A' ' 28' ' ' VAL . 28.2 m -67.67 -30.45 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 2.65 110.779 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -64.17 -23.88 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.297 0.57 . . . . 3.01 109.854 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.25 -33.03 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.473 -0.785 . . . . 1.17 111.877 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.582 HG21 ' HA ' ' A' ' 25' ' ' VAL . 5.5 m -85.81 -18.49 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.74 0.644 . . . . 1.12 112.74 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.87 -10.24 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.86 0.318 . . . . 1.13 111.86 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.6 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.7 pttt -106.76 -44.93 4.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.346 . . . . 1.93 111.933 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -123.96 35.57 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.878 0.37 . . . . 1.36 111.635 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.89 -172.52 44.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.791 -0.718 . . . . 0.43 112.91 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 12.0 p -136.91 -41.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 1.9 111.061 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.419 ' HA3' ' NE1' ' A' ' 36' ' ' TRP . . . -179.98 27.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.705 -0.759 . . . . 0.65 112.485 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 41.22 31.89 0.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.775 0.43 . . . . 4.95 111.738 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.419 ' NE1' ' HA3' ' A' ' 34' ' ' GLY . 48.4 m95 -66.92 -43.24 83.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.06 0.457 . . . . 5.59 110.403 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -70.06 -31.59 69.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 3.89 111.022 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.23 -55.64 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.78 110.712 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG11 HD13 ' A' ' 55' ' ' LEU . 8.7 p -59.77 -32.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.339 -0.391 . . . . 2.65 111.064 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HD3' ' HE2' ' A' ' 49' ' ' HIS . 26.3 mmmt -64.28 -45.38 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 3.75 111.37 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.08 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.574 -0.285 . . . . 3.0 111.602 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' HA ' HG22 ' A' ' 21' ' ' VAL . 51.9 t -54.64 -45.48 73.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.407 . . . . 2.23 110.228 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' ' 17' ' ' SER . . . 179.18 25.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.43 111.006 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 67.52 12.36 8.85 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.991 -1.114 . . . . 4.2 107.991 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.67 -53.56 5.08 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.447 -1.251 . . . . 2.12 111.324 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -114.25 31.76 6.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 1.46 110.74 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -66.05 0.07 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.56 111.584 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.87 1.16 11.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.635 -0.257 . . . . 2.25 111.195 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.463 ' HE2' ' HD3' ' A' ' 40' ' ' LYS . 60.6 m-70 63.2 117.91 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.484 . . . . 6.0 111.101 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -91.91 -64.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 6.69 111.398 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.9 m -156.77 157.16 34.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.399 -0.364 . . . . 1.46 110.499 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -45.81 92.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.724 0.268 . . . . 0.83 111.724 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 76.4 t -77.25 -40.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 121.036 -0.266 . . . . 1.2 111.095 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.1 m-20 -60.25 -49.72 76.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.066 0.46 . . . . 0.71 109.945 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.517 HD13 HG11 ' A' ' 39' ' ' VAL . 6.8 tt -58.14 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.058 -0.719 . . . . 2.22 109.058 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.618 ' HZ1' HD12 ' A' ' 87' ' ' LEU . 5.6 tmmm? -67.02 -27.39 67.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 3.96 110.505 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.25 -48.5 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 2.08 110.583 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -62.86 -36.8 84.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.801 -0.636 . . . . 3.47 110.536 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.452 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -68.24 -44.2 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.82 -0.627 . . . . 0.89 110.54 179.559 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -62.58 -32.75 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 2.31 110.825 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -84.65 -26.84 27.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.628 0.728 . . . . 1.77 109.701 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 tp -64.89 -33.58 76.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.804 -1.089 . . . . 1.98 110.3 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 68' ' ' ILE . 17.0 m -89.36 -45.22 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 1.07 110.384 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.499 ' HB2' HD12 ' A' ' 82' ' ' LEU . 45.1 t60 -52.82 -37.87 60.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.17 -0.468 . . . . 2.08 110.758 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.4 m -81.52 -22.43 37.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 2.4 111.227 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 1.24 111.461 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -162.29 30.64 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.48 -0.327 . . . . 3.93 111.006 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 63' ' ' VAL . 27.8 mm -62.71 -21.07 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 1.74 110.994 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.6 t 58.45 78.09 0.37 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 2.05 110.767 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.14 4.74 5.94 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.687 2.258 . . . . 1.6 112.579 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -105.07 -42.09 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 3.37 111.066 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 59.0 12.84 2.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.142 -0.481 . . . . 4.69 111.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 57.94 17.06 4.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 6.55 111.054 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -107.59 -38.57 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 9.76 110.979 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.7 112.4 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.884 -0.674 . . . . 3.91 112.478 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -144.27 135.41 12.5 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.419 0.152 . . . . 5.92 110.842 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 55.5 Cg_endo -71.54 -85.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.202 1.935 . . . . 2.37 112.478 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.42 ' H ' ' HG2' ' A' ' 77' ' ' PRO . 46.2 t -87.67 129.42 50.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 2.45 110.903 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.465 ' HB2' HD21 ' A' ' 82' ' ' LEU . 71.1 Cg_endo -74.26 94.0 0.9 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.356 2.037 . . . . 1.38 112.598 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -96.45 -26.38 15.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 2.53 110.953 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -48.31 -36.14 13.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 1.84 111.832 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -63.15 -59.59 4.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 2.18 110.798 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.34 -35.53 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 1.39 110.983 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.8 -51.27 65.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 2.04 111.216 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -69.89 -19.82 63.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 3.06 111.289 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 82' ' ' LEU . 38.4 t -72.35 -61.6 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 1.22 110.887 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.618 HD12 ' HZ1' ' A' ' 56' ' ' LYS . 10.7 mp -61.72 -25.67 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 2.04 110.717 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.87 -52.2 11.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 1.85 110.552 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.31 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 1.04 111.245 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -54.16 -55.59 26.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.165 0.507 . . . . 2.09 110.481 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.48 -33.36 62.08 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.757 . . . . 0.39 111.861 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.54 -40.3 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.577 0.227 . . . . 1.08 110.69 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 34.5 m0 -58.03 -57.58 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.056 0.455 . . . . 0.49 110.176 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.7 p -64.75 -50.04 68.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.586 -0.734 . . . . 1.12 112.178 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -64.69 -63.33 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 2.88 111.854 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.564 ' HA ' HE21 ' A' ' 96' ' ' GLN . 0.1 OUTLIER -58.92 -21.06 57.23 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.922 -0.311 . . . . 3.92 110.901 -179.348 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 56.53 54.23 7.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 2.6 110.925 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 68.6 mtm 55.36 31.67 17.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.033 -0.531 . . . . 3.28 111.086 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.454 ' HB2' ' HB3' ' A' ' 102' ' ' GLN . 48.6 mt-30 60.05 33.24 21.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 5.51 111.01 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 64.75 60.4 0.86 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 6.61 111.106 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.9 mt 53.83 23.79 4.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 5.22 111.797 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.552 ' HG2' ' H ' ' A' ' 104' ' ' ASN . 36.0 tt0 -68.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 5.82 110.691 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 58.05 18.5 5.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 5.78 111.253 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.552 ' H ' ' HG2' ' A' ' 102' ' ' GLN . 77.5 m-20 -98.01 80.04 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 6.23 110.879 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.529 -0.748 . . . . 4.19 111.273 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.877 0.37 . . . . 8.02 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -108.11 14.21 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 11.42 110.777 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -80.73 134.88 35.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 8.87 111.013 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 13' ' ' ARG . 52.7 mt -112.89 153.32 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 6.9 110.852 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.557 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 4.9 tpm_? 65.36 116.02 0.03 OUTLIER 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.242 -0.435 . . . . 8.68 110.866 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.676 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 66.6 ttt180 -152.32 -51.45 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.244 -0.434 . . . . 9.47 112.169 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.676 ' HD2' ' H ' ' A' ' 14' ' ' ARG . 47.3 Cg_endo -71.06 -63.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.821 1.681 . . . . 2.96 112.716 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -104.06 167.57 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.948 0.404 . . . . 1.64 111.159 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -177.45 176.3 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.689 -0.687 . . . . 2.1 110.066 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.64 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.936 0.398 . . . . 1.36 110.591 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.96 88.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.907 -0.588 . . . . 1.03 110.617 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.73 -41.15 92.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.03 110.015 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 25' ' ' VAL . 61.4 t -51.74 -35.23 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.793 -0.639 . . . . 1.7 110.56 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.429 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.6 tm-20 -51.5 -50.24 60.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.159 -0.473 . . . . 2.29 110.013 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.56 92.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.86 109.821 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.41 -29.65 64.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.468 -0.787 . . . . 1.25 110.126 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.488 ' HA ' HG23 ' A' ' 28' ' ' VAL . 56.5 t -70.38 -41.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 2.65 110.259 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.16 -21.53 66.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 3.01 110.396 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.54 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.939 -0.573 . . . . 1.17 111.966 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.488 HG23 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.86 -18.01 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 112.783 0.66 . . . . 1.12 112.783 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.84 -10.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.034 0.383 . . . . 1.13 112.034 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -102.21 -47.7 4.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.72 0.266 . . . . 1.93 111.72 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.571 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.9 pp -116.08 32.02 6.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 1.36 111.494 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.28 179.7 32.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.43 112.831 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.5 m -154.91 -41.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.9 110.958 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -172.8 22.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.65 112.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 3.8 ptm180 44.61 26.24 0.18 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.667 0.387 . . . . 4.95 111.627 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -53.68 -43.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.042 0.448 . . . . 5.59 110.652 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.5 -31.3 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 3.89 110.994 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.49 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.4 m-20 -67.47 -57.87 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.78 110.614 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.536 HG22 HD13 ' A' ' 55' ' ' LEU . 7.2 p -57.66 -31.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 2.65 110.849 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HG2' ' HE2' ' A' ' 49' ' ' HIS . 49.0 mmtt -64.28 -50.49 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 3.75 111.583 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.8 tp -113.3 26.02 10.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.827 0.306 . . . . 3.0 111.827 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASP . 53.0 t -52.86 -45.11 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 2.23 109.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 173.96 28.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.267 -0.879 . . . . 1.43 110.624 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 64.78 14.9 9.48 Favored 'General case' 0 CA--C 1.513 -0.481 0 N-CA-C 108.029 -1.1 . . . . 4.2 108.029 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -85.34 -53.14 5.41 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.356 -1.293 . . . . 2.12 111.204 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.91 27.31 9.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 1.46 110.871 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -4.05 3.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.494 . . . . 1.56 111.338 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -101.61 -17.09 16.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 2.25 110.736 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.448 ' HE2' ' HG2' ' A' ' 40' ' ' LYS . 10.4 m170 62.07 105.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.926 -0.579 . . . . 6.0 111.326 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -78.79 -80.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 6.69 110.88 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.6 p -146.65 176.62 9.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.486 -0.325 . . . . 1.46 110.937 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -46.06 91.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.83 111.906 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.8 t -76.23 -47.61 30.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.121 -0.232 . . . . 1.2 111.043 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -48.28 67.59 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.71 110.362 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.536 HD13 HG22 ' A' ' 39' ' ' VAL . 5.4 tt -62.19 -40.05 94.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 2.22 109.597 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.19 -21.24 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 3.96 110.614 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.53 -44.75 41.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 2.08 110.284 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.592 ' HB2' ' HZ2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -65.25 -29.34 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 3.47 110.134 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -78.61 -49.55 13.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.89 110.331 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -56.68 -34.27 67.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 2.31 110.682 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.2 m -83.79 -26.3 29.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 1.77 109.847 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tp -64.1 -31.99 73.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.205 -0.907 . . . . 1.98 110.208 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.417 ' O ' HG12 ' A' ' 68' ' ' ILE . 18.0 m -89.93 -44.84 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 1.07 110.452 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.454 ' HD1' HD23 ' A' ' 82' ' ' LEU . 34.4 t60 -55.38 -33.78 63.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.135 0.493 . . . . 2.08 110.733 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.1 t -78.64 -22.81 46.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 2.4 111.556 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.42 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.471 -0.331 . . . . 1.24 111.489 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -162.73 36.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 3.93 110.891 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.417 HG12 ' O ' ' A' ' 63' ' ' VAL . 27.5 mm -62.78 -23.45 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 1.74 110.88 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.0 m 56.43 76.08 0.52 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 2.05 110.837 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.17 -29.55 4.01 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.659 2.239 . . . . 1.6 112.403 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.507 ' C ' ' H ' ' A' ' 73' ' ' ARG . 43.5 mt-30 -81.45 -48.57 11.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 3.37 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 69.25 -19.17 0.18 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.865 -0.607 . . . . 4.69 111.775 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 71' ' ' GLN . 86.0 mtm180 -148.9 -78.96 0.14 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.766 0.317 . . . . 6.55 110.933 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -141.11 -67.0 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 9.76 110.999 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.09 174.67 20.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.866 -0.683 . . . . 3.91 112.507 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -163.9 153.83 12.78 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.437 0.16 . . . . 5.92 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 53.4 Cg_endo -71.62 -85.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.397 2.064 . . . . 2.37 112.12 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.424 ' H ' ' HG2' ' A' ' 77' ' ' PRO . 27.2 m -132.36 136.54 28.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 2.45 110.954 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.549 ' HB2' HD13 ' A' ' 82' ' ' LEU . 80.8 Cg_endo -78.1 75.12 4.99 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.428 2.085 . . . . 1.38 112.629 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -96.26 -25.6 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 2.53 110.71 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -52.23 -35.86 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 1.84 111.783 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.549 HD13 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -64.93 -59.79 3.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.537 -0.301 . . . . 2.18 110.901 -179.505 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.88 -24.86 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 1.39 111.078 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.76 -51.04 45.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 2.04 110.473 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.84 -20.07 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 3.06 110.554 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 13.3 t -73.86 -57.88 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 1.22 110.657 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.78 -29.45 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 2.04 110.355 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.24 -46.98 53.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 1.85 110.405 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.64 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 1.04 111.341 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.48 -53.28 59.96 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 2.09 110.593 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.49 50.61 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.528 -0.76 . . . . 0.39 111.879 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.85 -41.09 95.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 1.08 110.34 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -56.22 -57.58 11.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.49 110.671 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -67.81 -48.08 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 1.12 112.438 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -64.17 -60.74 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 2.88 111.696 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.404 HE21 ' HG2' ' A' ' 99' ' ' GLN . 7.5 tp60 -60.52 -22.87 64.07 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.076 -0.25 . . . . 3.92 111.064 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 58.39 48.49 12.23 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.357 -0.383 . . . . 2.6 110.954 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.7 mtt 57.38 29.08 16.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 3.28 110.944 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.404 ' HG2' HE21 ' A' ' 96' ' ' GLN . 25.0 mt-30 61.57 30.61 18.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.171 -0.468 . . . . 5.51 110.942 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 60.97 14.86 5.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.05 -0.523 . . . . 6.61 110.941 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.2 mt 55.1 44.09 28.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.064 -0.517 . . . . 5.22 110.993 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -55.35 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 5.82 111.019 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -170.22 -70.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.313 -0.403 . . . . 5.78 110.883 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.58 75.66 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 6.23 110.635 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.058 -0.972 . . . . 4.19 111.187 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.824 0.345 . . . . 8.02 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 59.01 17.89 5.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.067 -0.515 . . . . 11.42 111.02 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -111.84 137.22 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 8.87 111.018 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -99.75 -75.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 6.9 110.929 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -144.87 -161.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 8.68 110.803 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -61.29 126.46 86.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 9.47 110.806 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.97 -44.13 1.01 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.321 2.014 . . . . 2.96 112.357 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.09 163.14 21.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.64 110.909 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.486 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 80.0 p -156.88 176.46 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 2.1 110.72 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.49 -31.87 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.244 -0.435 . . . . 1.36 111.474 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.08 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 1.03 111.108 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.46 -41.56 88.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 2.03 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.48 HG23 ' SG ' ' A' ' 42' ' ' CYS . 61.8 t -57.47 -31.12 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.7 110.81 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -49.0 -58.35 5.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 2.29 110.114 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.19 86.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.86 109.935 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.64 -28.98 66.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.7 -0.682 . . . . 1.25 110.377 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.493 ' HA ' HG23 ' A' ' 28' ' ' VAL . 54.4 t -75.35 -38.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 2.65 110.306 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.47 -22.55 66.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.021 -0.536 . . . . 3.01 110.65 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.41 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 1.17 112.063 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.493 HG23 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.58 -18.09 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 112.615 0.598 . . . . 1.12 112.615 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -58.2 -10.46 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.782 0.29 . . . . 1.13 111.782 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.481 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 59.4 pttt -107.48 -47.73 3.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.676 0.25 . . . . 1.93 111.676 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.481 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -110.25 28.7 8.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.882 0.372 . . . . 1.36 111.448 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.57 -178.64 25.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.883 -0.675 . . . . 0.43 112.822 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 p -145.38 -49.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.9 111.236 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.01 22.04 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.917 -0.659 . . . . 0.65 112.316 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 42.56 24.59 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.817 0.447 . . . . 4.95 111.816 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -71.11 -44.72 65.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 5.59 111.079 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.02 -34.5 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.927 0.394 . . . . 3.89 111.263 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -67.51 -62.41 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.78 111.454 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.529 HG13 ' HG ' ' A' ' 55' ' ' LEU . 43.6 t -57.04 -38.49 60.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 2.65 111.836 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.35 -33.68 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 3.75 111.17 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.22 18.77 18.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.721 0.296 . . . . 3.0 111.1 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.48 ' SG ' HG23 ' A' ' 21' ' ' VAL . 17.0 t -51.99 -50.25 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 2.23 110.514 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' HB3' ' HA ' ' A' ' 17' ' ' SER . . . 178.31 29.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.589 -0.732 . . . . 1.43 110.703 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.2 t80 69.21 15.92 8.55 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 107.703 -1.221 . . . . 4.2 107.703 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.2 -54.13 6.58 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.088 -1.415 . . . . 2.12 110.558 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.493 ' HB3' HG11 ' A' ' 39' ' ' VAL . 15.9 t70 -119.2 25.2 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.018 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -22.1 60.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.942 -0.572 . . . . 1.56 111.369 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.38 -7.65 59.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 2.25 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.8 p80 37.0 90.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.679 -0.691 . . . . 6.0 112.1 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -60.41 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 6.69 111.125 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -150.1 179.65 7.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.425 . . . . 1.46 110.68 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' H ' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -64.13 -46.49 83.93 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.74 0.274 . . . . 0.83 111.74 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.3 t -79.21 -37.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.683 0.278 . . . . 1.2 110.96 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.418 . . . . 0.71 110.286 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.529 ' HG ' HG13 ' A' ' 39' ' ' VAL . 8.2 tt -65.24 -50.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 2.22 110.013 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -27.36 66.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.204 -0.453 . . . . 3.96 109.824 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.23 -49.66 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 2.08 109.941 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -57.78 -29.18 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.707 -0.678 . . . . 3.47 109.88 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -73.93 -48.51 30.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.572 -0.74 . . . . 0.89 110.213 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.539 ' HD2' HD12 ' A' ' 82' ' ' LEU . 27.9 ttpt -57.3 -30.89 65.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.876 -0.602 . . . . 2.31 110.662 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.5 m -83.4 -26.97 29.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 1.77 110.096 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -32.28 73.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.462 -0.79 . . . . 1.98 110.208 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.4 m -90.06 -43.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 1.07 111.295 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.581 ' HD1' ' HG3' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -60.27 -29.88 69.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.992 0.425 . . . . 2.08 110.597 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.6 t -80.7 -23.18 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.907 -0.588 . . . . 2.4 111.385 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.58 -84.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 1.24 111.443 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -159.96 18.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 3.93 111.017 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.14 -24.18 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 1.74 110.792 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.3 t 54.44 65.99 4.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 2.05 111.108 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.581 ' HG3' ' HD1' ' A' ' 64' ' ' HIS . 81.2 Cg_endo -78.29 -1.72 11.86 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.56 2.173 . . . . 1.6 112.287 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.93 -46.68 80.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 3.37 110.734 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 54.52 30.09 12.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.034 -0.53 . . . . 4.69 110.761 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 61.89 -166.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 6.55 110.74 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -76.64 7.03 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 9.76 111.044 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.62 -65.23 2.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 3.91 112.549 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.31 144.75 32.8 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.525 0.202 . . . . 5.92 110.853 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 58.0 Cg_endo -72.56 -87.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.381 2.054 . . . . 2.37 112.699 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.407 ' H ' ' HG2' ' A' ' 77' ' ' PRO . 46.3 t -88.19 134.65 34.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 2.45 111.156 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.457 ' HB3' ' HB2' ' A' ' 70' ' ' PRO . 11.6 Cg_exo -71.27 100.28 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.588 2.192 . . . . 1.38 112.175 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -96.72 -22.1 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 2.53 110.766 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.577 -0.738 . . . . 1.84 111.608 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.539 HD12 ' HD2' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -60.07 -36.07 76.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.661 0.267 . . . . 2.18 111.565 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.5 mt -76.42 -41.37 47.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 1.39 111.375 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -67.47 -38.86 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 2.04 111.52 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.0 ptm85 -74.31 -36.18 63.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 3.06 111.729 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.484 HG23 ' HA ' ' A' ' 60' ' ' LYS . 25.9 t -73.42 -44.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.675 0.274 . . . . 1.22 111.312 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.23 -33.1 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.999 0.428 . . . . 2.04 110.444 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.3 -53.7 13.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 1.85 110.663 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.23 -43.7 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 1.04 111.032 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.432 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 11.1 t-160 -61.02 -55.09 36.95 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.076 0.465 . . . . 2.09 110.287 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.06 -32.87 50.33 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.39 111.651 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLN . 16.8 t80 -63.82 -46.97 82.72 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.187 -0.301 . . . . 1.08 110.187 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -54.78 -60.1 3.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.058 0.456 . . . . 0.49 110.341 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -56.11 -40.99 74.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.568 -0.742 . . . . 1.12 111.392 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.77 -9.6 59.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 2.88 110.761 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' TYR . 7.9 tp-100 -83.84 -25.04 30.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 3.92 109.947 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 69.49 14.24 8.35 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.447 -0.797 . . . . 2.6 110.784 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 21.9 ttt 53.82 19.74 2.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.045 -0.525 . . . . 3.28 111.06 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -90.22 -10.94 42.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 5.51 111.06 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 56.84 27.55 13.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.197 -0.456 . . . . 6.61 110.903 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.97 -41.28 70.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 5.22 110.741 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -89.59 122.39 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 5.82 110.977 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -96.81 -3.85 41.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 5.78 111.005 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -77.66 80.64 4.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 6.23 110.803 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.557 -0.735 . . . . 4.19 111.142 179.892 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 8.02 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 58.68 20.55 7.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.095 -0.502 . . . . 11.42 111.142 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -96.11 106.16 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 8.87 110.743 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 12' ' ' ILE . 4.1 mp -95.78 128.48 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 6.9 110.956 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -110.31 -170.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 8.68 110.658 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -93.71 137.82 23.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 9.47 110.875 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.05 0.43 9.88 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.397 2.064 . . . . 2.96 112.465 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.61 128.4 36.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 1.64 111.184 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' HG22 ' A' ' 21' ' ' VAL . 52.6 m -136.09 -174.49 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.846 -0.615 . . . . 2.1 110.349 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.16 -23.57 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 1.36 111.013 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.21 13.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 1.03 110.643 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.22 -33.78 73.84 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.08 0.467 . . . . 2.03 110.017 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 17' ' ' SER . 96.2 t -55.76 -25.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 1.7 110.605 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -52.82 -53.96 41.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.045 0.45 . . . . 2.29 110.377 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.29 82.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.606 . . . . 0.86 110.612 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.8 tp -54.4 -60.17 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.843 -0.617 . . . . 1.25 110.732 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.521 ' HA ' HG23 ' A' ' 28' ' ' VAL . 31.8 m -61.81 -26.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 2.65 110.833 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -68.07 -23.49 64.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 3.01 109.742 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.22 -29.43 20.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.464 -0.789 . . . . 1.17 111.263 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 25' ' ' VAL . 4.0 m -85.75 -19.35 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 112.343 0.497 . . . . 1.12 112.343 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.27 -10.18 14.86 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.081 -0.248 . . . . 1.13 111.589 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -107.5 -40.42 5.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.937 0.347 . . . . 1.93 111.937 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.534 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -122.55 29.49 6.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.824 0.345 . . . . 1.36 111.678 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.77 -170.98 45.16 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.773 -0.727 . . . . 0.43 112.772 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.508 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 47.7 m -146.36 -33.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.633 0.254 . . . . 1.9 111.311 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.95 26.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.702 -0.761 . . . . 0.65 112.717 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 41.18 27.5 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.77 0.428 . . . . 4.95 111.813 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.508 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 42.9 p-90 -73.57 -43.09 60.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 5.59 111.01 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.16 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.16 0.505 . . . . 3.89 110.158 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.8 m-20 -66.6 -56.53 10.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.651 -0.704 . . . . 0.78 110.972 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -57.36 -29.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 2.65 111.417 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -69.63 -49.37 54.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.479 -0.328 . . . . 3.75 111.66 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.18 25.58 11.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.841 0.311 . . . . 3.0 111.841 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' ASP . 48.3 t -52.75 -47.17 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 2.23 109.862 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.13 27.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.242 -0.89 . . . . 1.43 110.775 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 66.08 13.05 8.9 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.256 -1.016 . . . . 4.2 108.256 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -85.82 -48.76 8.47 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.646 -1.161 . . . . 2.12 111.121 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.81 26.34 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 1.46 110.818 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -15.72 59.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 1.56 110.994 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.03 -7.19 36.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 2.25 110.789 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 62.97 105.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.854 -0.612 . . . . 6.0 111.16 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 7.1 tpm_? -83.48 -67.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 6.69 110.961 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 14.3 m -156.3 154.03 30.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 1.46 110.612 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.18 -45.48 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.043 0.386 . . . . 0.83 112.043 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 89.9 t -78.06 -33.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.081 -0.248 . . . . 1.2 111.276 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.52 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -67.88 -44.99 75.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.018 0.437 . . . . 0.71 110.447 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -64.85 -53.62 43.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 2.22 109.969 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -56.62 -28.5 60.61 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.573 -0.529 . . . . 3.96 109.573 179.266 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.427 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 14.4 t70 -63.71 -44.39 93.78 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.415 -0.587 . . . . 2.08 109.415 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -59.15 -32.42 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.53 -0.759 . . . . 3.47 110.07 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.405 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -82.64 -30.76 29.15 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.85 -0.613 . . . . 0.89 109.904 179.247 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.36 -38.06 81.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.326 -0.852 . . . . 2.31 110.157 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.9 t -82.69 -26.85 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.599 -0.728 . . . . 1.77 109.328 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -59.65 -44.35 93.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.108 -0.951 . . . . 1.98 109.143 178.547 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.4 m -80.16 -44.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 1.07 110.783 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.489 ' HB2' HD11 ' A' ' 82' ' ' LEU . 2.0 t60 -54.61 -34.46 62.08 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.159 -0.473 . . . . 2.08 111.143 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.6 m -90.79 -17.24 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 2.4 111.263 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.62 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 1.24 111.504 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -148.96 15.36 0.94 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.496 -0.32 . . . . 3.93 111.205 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.9 mm -60.77 -26.2 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.392 -0.367 . . . . 1.74 110.843 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.4 t 47.29 64.09 9.09 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.984 -0.553 . . . . 2.05 111.315 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.22 4.07 6.55 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.599 2.199 . . . . 1.6 112.301 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -105.05 16.63 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 3.37 110.92 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -56.99 -26.77 60.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 4.69 110.831 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 63.02 118.57 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.863 -0.608 . . . . 6.55 111.612 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -141.21 8.52 2.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.911 -0.586 . . . . 9.76 110.565 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.51 45.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.955 -0.641 . . . . 3.91 112.052 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 56.34 56.93 9.29 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.711 0.291 . . . . 5.92 110.846 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.82 -163.65 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.553 2.168 . . . . 2.37 112.433 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -134.19 143.2 46.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 2.45 110.765 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.497 ' HB2' HD13 ' A' ' 82' ' ' LEU . 73.7 Cg_endo -75.59 76.21 3.7 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.379 2.053 . . . . 1.38 112.453 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -96.54 -28.93 14.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.06 -0.518 . . . . 2.53 110.721 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -51.47 -37.48 49.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 1.84 111.909 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -66.35 -57.6 7.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.582 -0.281 . . . . 2.18 111.171 -179.281 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.64 -33.27 69.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 1.39 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.1 -52.13 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 2.04 111.024 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 85' ' ' ARG . 11.3 ptp180 -68.87 -19.74 64.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 3.06 111.189 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.426 HG11 ' HD3' ' A' ' 56' ' ' LYS . 41.7 t -70.38 -62.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.347 -0.388 . . . . 1.22 110.924 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.17 -19.45 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 2.04 110.779 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -77.23 -54.4 6.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 1.85 110.399 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 1.04 110.955 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -61.66 -55.63 28.44 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.127 0.489 . . . . 2.09 110.181 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.3 -29.45 63.11 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.697 -0.763 . . . . 0.39 111.645 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.478 ' O ' ' N ' ' A' ' 96' ' ' GLN . 22.5 t80 -64.62 -47.39 78.75 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 110.396 -0.224 . . . . 1.08 110.396 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.46 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 16.5 m0 -57.41 -57.5 12.39 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.249 0.547 . . . . 0.49 109.944 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -55.12 -36.45 65.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.375 -0.829 . . . . 1.12 111.155 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -89.24 -7.47 55.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 2.88 110.79 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 92' ' ' TYR . 8.9 tt0 -80.91 -28.93 35.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 3.92 110.196 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.491 ' C ' ' H ' ' A' ' 99' ' ' GLN . 77.9 mt-30 69.31 34.18 3.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.523 -0.762 . . . . 2.6 111.002 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.4 tpt 71.95 -21.68 0.22 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.956 -0.565 . . . . 3.28 111.581 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' A' ' 97' ' ' GLN . 6.5 tp-100 -165.98 85.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 5.51 110.58 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -60.06 144.97 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 6.61 110.925 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.2 mp -77.42 5.3 9.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 5.22 110.913 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.52 ' HG3' ' HB2' ' A' ' 104' ' ' ASN . 24.3 tp60 -84.79 -43.92 13.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 5.82 110.815 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 63.98 8.61 4.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.099 -0.501 . . . . 5.78 111.206 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.52 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 3.4 m-20 -114.68 77.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 6.23 110.803 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.303 -0.856 . . . . 4.19 111.005 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.66 0.267 . . . . 8.02 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -170.71 24.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.399 . . . . 11.42 110.947 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -86.36 129.8 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 8.87 110.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.457 HD13 ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -138.41 138.88 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 6.9 110.821 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' HG3' ' HG3' ' A' ' 14' ' ' ARG . 24.1 tpp180 -113.0 126.8 55.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 8.68 110.738 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' HG3' ' HG3' ' A' ' 13' ' ' ARG . 99.1 mtt180 57.89 84.77 0.2 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.017 -0.538 . . . . 9.47 110.973 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.72 -41.01 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.501 2.134 . . . . 2.96 112.646 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -107.13 159.79 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 1.64 111.366 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -169.1 -175.06 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.689 -0.687 . . . . 2.1 110.217 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.92 -33.23 15.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.871 0.367 . . . . 1.36 110.73 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.17 84.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 1.03 110.524 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.38 -36.46 81.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.029 -0.532 . . . . 2.03 109.983 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' O ' HG21 ' A' ' 25' ' ' VAL . 74.1 t -54.17 -34.34 26.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.808 -0.633 . . . . 1.7 110.496 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 39.7 tt0 -48.58 -56.13 9.25 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.107 0.48 . . . . 2.29 110.244 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.72 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.86 109.881 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.58 -28.94 66.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.584 -0.735 . . . . 1.25 110.111 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.521 ' HA ' HG23 ' A' ' 28' ' ' VAL . 55.8 t -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 2.65 110.213 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -65.21 -23.24 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 3.01 110.203 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.69 -37.09 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 1.17 112.231 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 25' ' ' VAL . 31.1 m -85.75 -18.18 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.642 0.608 . . . . 1.12 112.642 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.09 -10.36 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.894 0.331 . . . . 1.13 111.894 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.543 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.0 ptpt -107.35 -47.78 3.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.891 0.33 . . . . 1.93 111.891 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.543 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.8 pp -114.27 31.98 6.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 1.36 111.62 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.17 -175.86 43.23 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.721 -0.752 . . . . 0.43 112.681 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.501 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 59.7 m -151.32 -43.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 1.9 110.918 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.88 20.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.807 -0.711 . . . . 0.65 112.411 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 59' ' ' TRP . 1.4 ptm180 45.0 21.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 122.821 0.448 . . . . 4.95 111.575 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.501 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 11.4 p-90 -58.35 -45.24 88.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 5.59 110.852 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.44 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 16.0 ptm180 -65.26 -28.81 69.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 3.89 110.519 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.56 -60.18 3.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.78 110.724 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG11 HD11 ' A' ' 55' ' ' LEU . 19.0 m -57.46 -26.96 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 2.65 110.721 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 88.9 mttt -64.54 -52.5 57.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 3.75 111.167 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.0 24.69 12.11 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.803 0.297 . . . . 3.0 111.803 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.87 -46.06 78.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 2.23 110.296 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -177.03 24.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 1.43 111.153 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.416 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER 72.2 4.95 5.18 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.457 -0.942 . . . . 4.2 108.457 -179.457 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -81.35 -54.4 5.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.705 -1.134 . . . . 2.12 111.496 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -101.45 25.5 8.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 1.46 110.782 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.44 -3.71 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 1.56 111.32 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.25 -5.55 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 2.25 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 62.97 114.22 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.068 -0.514 . . . . 6.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.21 -69.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 6.69 111.223 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.523 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -158.14 155.94 30.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 1.46 110.352 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -47.54 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.769 0.285 . . . . 0.83 111.769 -179.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.32 -43.04 31.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.054 -0.259 . . . . 1.2 111.012 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.523 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.3 m-20 -57.74 -51.49 69.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.71 110.383 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.442 HD11 HG11 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -61.63 -34.98 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 2.22 109.236 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 tmmm? -67.29 -29.81 69.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.734 -0.666 . . . . 3.96 109.963 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -68.27 -46.2 71.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.194 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.52 -30.75 70.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.13 0.49 . . . . 3.47 109.713 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.495 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -71.25 -45.6 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.771 . . . . 0.89 110.0 179.234 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.558 ' HD2' ' HG ' ' A' ' 83' ' ' LEU . 1.5 ttpm? -56.18 -33.59 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.676 -0.693 . . . . 2.31 110.385 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.7 m -85.11 -28.03 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.778 -0.646 . . . . 1.77 109.626 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 59' ' ' TRP . 4.7 tp -64.01 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.031 -0.986 . . . . 1.98 110.145 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -90.16 -43.66 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 1.07 110.658 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.493 ' HD1' ' HG3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -57.96 -33.93 69.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 2.08 110.801 179.292 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.8 t -74.04 -21.93 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 2.4 111.535 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.94 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 1.24 111.303 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -165.21 23.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 3.93 111.135 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.29 -29.05 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 1.74 110.765 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.9 m 45.92 66.51 5.31 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.899 -0.591 . . . . 2.05 111.489 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.493 ' HG3' ' HD1' ' A' ' 64' ' ' HIS . 72.6 Cg_endo -78.29 -20.18 11.36 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.512 2.142 . . . . 1.6 112.212 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -66.4 -37.19 84.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 3.37 110.946 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 62.31 7.46 2.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.121 -0.491 . . . . 4.69 111.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HG2' ' HG2' ' A' ' 74' ' ' ARG . 37.4 ttm180 -172.65 -74.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 6.55 110.792 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.478 ' HG2' ' HG2' ' A' ' 73' ' ' ARG . 16.7 ptm180 -166.48 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 9.76 110.943 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.7 158.73 39.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 3.91 112.468 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -127.82 84.36 63.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.71 0.291 . . . . 5.92 111.067 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 55.3 Cg_endo -71.72 -86.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.366 2.044 . . . . 2.37 112.277 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG11 ' HG3' ' A' ' 80' ' ' GLN . 41.9 t -130.33 91.73 37.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 2.45 110.842 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.437 ' HB2' HD11 ' A' ' 82' ' ' LEU . 58.9 Cg_endo -71.98 92.46 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.406 2.071 . . . . 1.38 112.416 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.454 ' HG3' HG11 ' A' ' 78' ' ' VAL . 97.6 mt-30 -96.28 -25.62 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 2.53 110.958 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -50.77 -38.97 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 1.84 111.726 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -68.57 -58.68 3.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.489 -0.323 . . . . 2.18 110.954 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.558 ' HG ' ' HD2' ' A' ' 60' ' ' LYS . 25.6 mt -56.31 -25.81 49.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 1.39 110.869 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -72.12 -49.66 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 2.04 110.836 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.43 -19.99 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 3.06 111.131 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 82' ' ' LEU . 46.9 t -76.46 -57.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 1.22 110.97 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.19 -26.95 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 2.04 110.595 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -75.46 -56.69 4.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 1.85 110.766 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.33 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 1.04 111.16 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -59.18 -55.39 35.56 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.178 0.513 . . . . 2.09 110.407 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.12 -31.53 59.08 Favored Glycine 0 C--O 1.225 -0.46 0 CA-C-N 115.491 -0.777 . . . . 0.39 111.796 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.06 -40.28 87.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.705 0.288 . . . . 1.08 110.232 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.486 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 41.1 m0 -58.72 -54.5 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.382 . . . . 0.49 110.426 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -68.06 -48.57 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 1.12 112.133 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -67.43 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.398 . . . . 2.88 112.007 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -63.85 -20.04 65.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 3.92 111.168 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 57.9 69.87 0.7 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 2.6 110.916 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.0 ptm 38.87 40.67 0.45 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.867 -0.606 . . . . 3.28 111.444 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 58.24 68.28 0.85 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.575 . . . . 5.51 110.644 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 60.37 -178.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.863 -0.608 . . . . 6.61 111.134 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.8 tp -64.32 -29.82 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 5.22 110.888 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -67.65 118.18 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 5.82 110.899 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.67 2.71 52.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 5.78 110.896 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -79.13 80.38 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 6.23 110.794 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.536 -0.745 . . . . 4.19 111.323 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.8 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.543 0.211 . . . . 1.35 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -51.84 -32.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.388 . . . . 0.44 110.948 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.64 75.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.116 -0.493 . . . . 0.37 110.513 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.08 -35.38 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.809 -0.632 . . . . 2.51 110.19 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 25' ' ' VAL . 94.3 t -55.38 -34.45 34.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.88 -0.6 . . . . 0.42 110.596 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -48.69 -58.38 4.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.23 -0.441 . . . . 2.37 110.321 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.1 78.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.35 109.909 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.58 -29.8 68.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 0.54 110.251 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 21' ' ' VAL . 75.4 t -70.13 -42.38 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 116.149 -0.478 . . . . 1.22 110.24 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.78 -22.25 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 1.65 110.671 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.79 -37.61 16.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 0.44 112.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.46 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.7 m -85.69 -18.04 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 112.773 0.657 . . . . 0.33 112.773 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.38 -10.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.959 0.355 . . . . 0.73 111.959 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 57.7 pttt -106.54 -47.75 3.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.711 0.263 . . . . 1.78 111.711 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -111.26 32.35 5.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.99 111.34 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.7 168.79 42.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.834 -0.698 . . . . 0.31 112.734 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.8 p -143.14 -36.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 1.39 111.022 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.95 28.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.759 -0.734 . . . . 0.48 112.591 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.604 HH12 ' HZ1' ' A' ' 56' ' ' LYS . 11.7 ptp85 42.94 30.46 0.25 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.719 0.408 . . . . 4.45 111.711 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -63.78 -45.46 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.119 0.485 . . . . 3.87 110.378 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -71.5 -31.19 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.609 . . . . 3.51 110.685 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.1 -51.48 45.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.19 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.504 HG23 HD13 ' A' ' 55' ' ' LEU . 8.7 p -63.09 -31.97 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 1.61 111.213 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -67.98 -45.32 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 2.16 111.562 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.16 25.13 11.63 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.874 0.324 . . . . 1.94 111.874 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.2 t -54.43 -46.2 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.02 109.882 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.87 27.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.133 -0.939 . . . . 0.84 110.637 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.94 13.02 8.82 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 108.204 -1.036 . . . . 3.45 108.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.98 -54.03 4.74 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.517 -1.22 . . . . 2.1 111.447 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.14 27.25 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.83 110.9 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.71 -6.31 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.98 111.246 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -108.88 -5.5 16.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.375 . . . . 2.33 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 61.5 m80 63.32 111.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.066 -0.515 . . . . 3.59 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -94.46 -69.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 5.44 111.135 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 10.7 m -150.66 153.03 34.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 1.01 110.823 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.021 0.378 . . . . 0.57 112.021 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 99.0 t -78.19 -35.7 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.869 -0.332 . . . . 0.4 110.999 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.422 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 0.9 OUTLIER -56.77 -53.38 58.42 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.643 -0.503 . . . . 0.65 109.643 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 39' ' ' VAL . 15.8 tp -62.8 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 1.81 109.4 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HZ1' HH12 ' A' ' 35' ' ' ARG . 16.6 tppt? -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.446 -0.797 . . . . 2.86 110.348 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.8 -44.66 55.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.977 -0.556 . . . . 2.04 110.37 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.3 -29.03 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.551 -0.75 . . . . 2.38 111.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.472 ' CZ3' HG22 ' A' ' 25' ' ' VAL . 3.5 t-105 -80.17 -51.93 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.57 110.059 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.4 ttpm? -54.64 -33.39 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 1.06 111.081 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.4 t -82.44 -30.42 30.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.96 0.41 . . . . 0.97 110.337 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -33.37 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.682 -0.69 . . . . 1.27 110.236 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.8 m -90.17 -41.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 0.47 111.12 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -61.75 -29.33 70.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.897 0.379 . . . . 1.24 110.578 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.2 t -81.15 -17.24 50.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 1.18 111.434 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.19 -87.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.259 -0.428 . . . . 0.84 111.386 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.48 -0.327 . . . . 3.29 111.245 -179.649 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.888 0.375 . . . . 3.3 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -51.15 -47.9 61.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 2.78 111.604 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -57.71 -29.99 65.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.633 -0.258 . . . . 1.25 111.524 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 82' ' ' LEU . 27.6 mt -79.65 -39.14 32.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.943 0.401 . . . . 0.57 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 7.0 t30 -69.37 -35.49 75.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.023 -0.535 . . . . 1.44 111.213 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 85' ' ' ARG . 13.8 ptm180 -78.74 -34.95 45.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 2.17 111.764 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 60' ' ' LYS . 13.3 p -68.94 -45.88 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.91 -0.316 . . . . 0.77 111.083 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.448 ' N ' HG13 ' A' ' 86' ' ' VAL . 7.0 mp -70.35 -33.2 71.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 1.21 110.845 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 40.8 t-20 -69.61 -43.89 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 1.17 110.098 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.74 -57.53 12.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 0.31 111.288 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -59.16 -55.09 39.39 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.976 0.417 . . . . 0.64 110.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -52.77 -33.59 42.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.872 -0.68 . . . . 0.31 111.962 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -65.39 -48.42 72.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.67 -0.122 . . . . 0.34 110.67 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.05 -60.63 2.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 0.32 110.371 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.5 p -57.77 -48.29 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.529 -0.76 . . . . 0.53 111.498 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 1.95 111.025 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.527 0.203 . . . . 1.35 110.648 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -50.26 -34.69 11.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.319 -0.4 . . . . 0.44 111.149 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.79 82.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.37 111.002 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.1 -34.75 73.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.049 -0.523 . . . . 2.51 110.296 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 25' ' ' VAL . 97.4 t -54.83 -35.4 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.928 -0.578 . . . . 0.42 110.596 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.1 tm-20 -49.49 -56.89 8.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.172 -0.467 . . . . 2.37 110.383 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.73 81.73 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.229 0.538 . . . . 0.35 110.063 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.78 -30.21 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.438 -0.801 . . . . 0.54 110.25 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.502 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.7 t -69.05 -44.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 1.22 110.463 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -63.66 -22.38 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 1.65 110.556 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.2 -37.98 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.575 . . . . 0.44 112.171 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 30.7 m -85.61 -17.79 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.841 0.682 . . . . 0.33 112.841 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.37 -10.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.807 0.299 . . . . 0.73 111.807 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.2 pttt -107.04 -46.65 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.823 0.305 . . . . 1.78 111.823 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.583 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -116.14 33.85 5.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.895 0.379 . . . . 0.99 111.511 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.59 179.79 51.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.31 112.705 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.473 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 9.2 p -145.83 -41.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 1.39 110.985 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.07 26.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.868 -0.682 . . . . 0.48 112.402 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.515 HH11 HD12 ' A' ' 55' ' ' LEU . 3.5 ptm180 44.66 28.0 0.3 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.725 0.41 . . . . 4.45 111.694 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -54.28 -42.59 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.051 0.453 . . . . 3.87 110.6 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -69.74 -29.37 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 3.51 110.553 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.465 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.3 m-20 -68.64 -55.9 9.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 2.19 110.394 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.573 ' HB ' HD13 ' A' ' 55' ' ' LEU . 11.6 p -59.78 -26.44 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.327 -0.397 . . . . 1.61 110.693 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HB3' HD22 ' A' ' 41' ' ' LEU . 50.7 mmtt -67.89 -53.15 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 2.16 111.38 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 40' ' ' LYS . 3.9 mm? -113.03 25.82 11.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.353 -0.385 . . . . 1.94 111.843 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' ASP . 51.8 t -49.94 -45.68 51.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.479 . . . . 1.02 110.161 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.68 26.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.257 -0.883 . . . . 0.84 111.089 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 t80 67.89 10.53 7.86 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.069 -1.086 . . . . 3.45 108.069 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.57 -49.06 8.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.523 -1.217 . . . . 2.1 111.213 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -107.9 25.29 11.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.83 110.929 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.22 -6.62 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.98 111.222 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.33 -4.14 16.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.256 -0.429 . . . . 2.33 110.854 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.6 m80 63.44 112.84 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.957 -0.565 . . . . 3.59 111.214 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -93.35 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 5.44 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.0 m -158.88 155.3 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.01 110.466 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -60.89 -46.67 89.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.151 -0.22 . . . . 0.57 111.56 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.417 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 42.7 t -76.41 -42.61 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 121.107 -0.237 . . . . 0.4 111.001 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.535 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -57.32 -53.75 54.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.844 0.354 . . . . 0.65 110.353 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.573 HD13 ' HB ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -59.38 -35.44 73.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.26 -0.644 . . . . 1.81 109.26 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.7 tppp? -67.69 -28.77 67.97 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.659 -0.7 . . . . 2.86 110.027 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 42.4 m-20 -68.26 -42.53 79.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.008 -0.542 . . . . 2.04 109.908 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.3 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.118 -0.492 . . . . 2.38 109.749 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.2 t-105 -70.83 -46.26 63.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.58 -0.736 . . . . 0.57 109.949 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -60.57 -31.64 70.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.79 -0.641 . . . . 1.06 110.421 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -85.09 -25.87 27.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.451 0.643 . . . . 0.97 109.567 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tp -63.94 -34.32 77.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.904 -1.044 . . . . 1.27 110.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.1 m -89.33 -42.21 14.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.945 -0.571 . . . . 0.47 110.453 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.502 ' HB2' HD13 ' A' ' 82' ' ' LEU . 21.5 t60 -54.89 -38.23 67.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.523 . . . . 1.24 110.854 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -82.1 -19.36 40.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 1.18 111.36 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.33 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 0.84 111.348 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 pttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 3.29 111.202 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.038 0.447 . . . . 3.3 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -49.45 -33.93 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.676 -0.693 . . . . 2.78 111.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -66.85 -60.15 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.344 -0.389 . . . . 1.25 111.042 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.94 -26.06 65.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.57 111.108 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -70.98 -51.05 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.44 110.966 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -71.96 -20.25 61.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 2.17 111.205 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 82' ' ' LEU . 27.6 t -76.81 -61.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.509 -0.314 . . . . 0.77 111.119 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.22 -27.19 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.532 -0.303 . . . . 1.21 110.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -73.77 -57.14 4.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 1.17 110.558 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.15 75.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 0.31 111.003 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.47 -55.12 34.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.161 0.505 . . . . 0.64 110.212 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.0 -31.32 58.57 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.654 -0.703 . . . . 0.31 111.736 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -66.07 -46.4 77.86 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 110.515 -0.179 . . . . 0.34 110.515 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.473 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 22.6 m0 -55.94 -58.56 7.38 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.119 0.485 . . . . 0.32 110.019 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -56.96 -50.69 71.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.697 . . . . 0.53 111.19 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.95 110.665 179.682 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.3 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.585 0.231 . . . . 1.35 110.613 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -50.21 -27.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 0.44 111.274 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.69 -58.2 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.37 111.097 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.92 -35.13 77.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.51 110.708 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 17' ' ' SER . 87.5 t -55.14 -29.45 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.943 -0.571 . . . . 0.42 110.694 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.11 -57.54 10.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 2.37 110.49 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.259 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.68 -28.38 65.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.54 110.168 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' A' ' 28' ' ' VAL . 4.0 t -75.23 -39.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.758 -0.655 . . . . 1.22 110.522 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tm0? -65.37 -21.8 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 1.65 110.22 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.9 -36.72 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 0.44 112.054 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.5 m -85.68 -18.12 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 112.764 0.653 . . . . 0.33 112.764 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -9.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.956 0.354 . . . . 0.73 111.956 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -104.25 -42.03 5.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.0 0.37 . . . . 1.78 112.0 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.595 HD23 ' H ' ' A' ' 31' ' ' LEU . 2.5 pt? -121.52 29.31 7.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.993 0.425 . . . . 0.99 111.485 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -78.3 -168.59 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.759 -0.734 . . . . 0.31 112.953 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 m -152.33 -44.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 1.39 110.846 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.13 22.54 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.951 -0.642 . . . . 0.48 112.771 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 7.0 ptm180 44.97 25.67 0.17 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 122.78 0.432 . . . . 4.45 111.737 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -57.14 -47.44 81.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 3.87 110.365 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -72.08 -28.82 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.757 -0.656 . . . . 3.51 110.879 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.3 m-20 -66.55 -59.98 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 2.19 110.462 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.531 ' HB ' ' HB2' ' A' ' 46' ' ' ASP . 35.1 m -59.14 -28.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 1.61 110.464 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -61.9 -50.42 72.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 2.16 111.056 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.25 24.28 12.45 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.564 -0.289 . . . . 1.94 111.639 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' A' ' 21' ' ' VAL . 32.9 t -57.46 -48.27 79.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.087 0.47 . . . . 1.02 110.017 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.47 29.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.253 -0.885 . . . . 0.84 110.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 65.89 20.46 11.37 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.7 -1.222 . . . . 3.45 107.7 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.26 -54.85 4.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.088 -1.415 . . . . 2.1 111.269 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 10.1 m-20 -114.94 20.48 15.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.956 -0.566 . . . . 0.83 110.693 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -5.8 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.98 111.467 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.76 -16.97 14.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.555 -0.293 . . . . 2.33 111.045 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 61.17 105.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.444 . . . . 3.59 111.001 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -85.7 -56.7 3.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 5.44 111.392 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 16.8 m -156.3 156.78 34.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.441 -0.345 . . . . 1.01 110.79 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -61.54 -44.89 96.22 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.815 -0.175 . . . . 0.57 111.426 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 51.3 t -75.98 -41.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 0.4 110.562 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.456 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m-20 -56.99 -43.02 81.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.093 0.473 . . . . 0.65 109.859 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.81 -40.46 95.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.191 -0.67 . . . . 1.81 109.191 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.471 -0.786 . . . . 2.86 109.978 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.84 -38.06 62.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.002 -0.544 . . . . 2.04 110.038 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -66.28 -33.27 75.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 2.38 109.849 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.8 t-105 -75.15 -49.13 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.739 . . . . 0.57 109.916 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HB2' HG21 ' A' ' 86' ' ' VAL . 9.3 tmtt? -59.36 -38.76 81.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.458 -0.792 . . . . 1.06 110.884 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m -75.94 -27.3 57.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.97 110.28 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD23 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -64.58 -38.94 92.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.768 -0.651 . . . . 1.27 110.199 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.403 HG13 HD23 ' A' ' 62' ' ' LEU . 17.8 m -83.4 -42.22 17.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.309 -0.405 . . . . 0.47 110.552 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.546 ' HB2' HD13 ' A' ' 82' ' ' LEU . 6.9 t60 -55.06 -40.77 70.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.039 -0.528 . . . . 1.24 110.92 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.09 -18.79 45.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 1.18 111.442 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.51 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.384 -0.371 . . . . 0.84 111.28 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 3.29 111.223 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.829 0.347 . . . . 3.3 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -50.29 -38.16 39.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 2.78 111.765 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -66.81 -60.05 3.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.414 -0.357 . . . . 1.25 110.998 -179.462 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.16 -24.53 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.57 111.011 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.54 -51.04 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 1.44 110.829 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.75 -20.03 61.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 2.17 111.065 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' LEU . 42.5 t -74.98 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.77 111.095 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.46 -25.88 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 1.21 110.872 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.73 -51.61 18.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.976 0.417 . . . . 1.17 110.512 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.35 82.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.79 -0.641 . . . . 0.31 111.263 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.441 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 49.9 t60 -60.06 -55.64 31.5 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.033 0.444 . . . . 0.64 110.421 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.55 -33.17 62.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.736 -0.745 . . . . 0.31 111.737 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.05 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 0.34 110.727 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.441 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 20.0 m0 -59.87 -58.56 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.074 0.464 . . . . 0.32 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -63.81 -34.13 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.663 -0.699 . . . . 0.53 112.815 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 112.021 0.378 . . . . 1.95 112.021 -179.002 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.4 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.693 0.282 . . . . 1.35 110.714 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.06 -25.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.44 111.145 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.88 -57.98 10.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.128 -0.487 . . . . 0.37 110.807 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.47 -35.6 80.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 2.51 110.258 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 17' ' ' SER . 70.2 t -57.17 -25.52 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.847 -0.615 . . . . 0.42 110.878 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.41 -53.83 51.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.059 0.457 . . . . 2.37 110.554 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.894 -0.594 . . . . 0.35 110.612 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.4 tp -55.53 -52.57 63.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.54 110.978 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.67 ' HA ' HG22 ' A' ' 28' ' ' VAL . 33.8 m -65.76 -28.62 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 1.22 110.853 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -68.48 -22.03 64.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.199 0.523 . . . . 1.65 109.881 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.35 -32.7 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.685 -0.689 . . . . 0.44 111.696 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 25' ' ' VAL . 13.0 m -85.99 -18.57 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 112.767 0.655 . . . . 0.33 112.767 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.53 -10.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.978 0.362 . . . . 0.73 111.978 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.611 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 55.6 pttt -100.83 -42.77 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.936 0.347 . . . . 1.78 111.936 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -124.86 31.97 5.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 0.99 111.587 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -80.55 -165.45 32.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.827 -0.701 . . . . 0.31 112.734 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.451 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.3 m -149.79 -44.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.651 0.262 . . . . 1.39 111.03 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' HA2' HH21 ' A' ' 35' ' ' ARG . . . -162.71 17.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.585 -0.817 . . . . 0.48 112.773 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.446 HH21 ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 47.51 17.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.982 0.42 . . . . 4.45 111.574 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -58.29 -47.21 84.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 3.87 111.336 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -62.98 -34.04 76.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 3.51 111.236 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.42 -61.26 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 2.19 110.905 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.432 HG12 ' HB2' ' A' ' 46' ' ' ASP . 18.9 t -58.35 -26.15 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 1.61 111.077 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB3' HD12 ' A' ' 41' ' ' LEU . 81.8 mttt -67.3 -45.75 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 2.16 110.77 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 40' ' ' LYS . 7.6 mp -112.28 24.89 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 1.94 111.078 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.9 t -55.91 -45.51 78.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 1.02 110.398 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -178.13 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 0.84 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 66.17 14.8 9.82 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.456 -0.942 . . . . 3.45 108.456 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.31 -44.84 12.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.716 -1.129 . . . . 2.1 111.199 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' HB2' HG12 ' A' ' 39' ' ' VAL . 10.2 m-20 -119.74 26.42 9.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.83 110.817 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.0 0.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.98 111.54 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.09 -9.1 12.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.516 -0.311 . . . . 2.33 110.981 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m80 63.6 113.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.095 -0.502 . . . . 3.59 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.482 ' HE ' ' HB3' ' A' ' 54' ' ' ASP . 57.6 ttp180 -90.84 -57.75 2.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 5.44 111.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 12.2 m -157.24 158.82 36.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.516 -0.311 . . . . 1.01 110.624 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -62.76 -46.62 87.18 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 111.576 0.213 . . . . 0.57 111.576 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.451 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 59.6 t -76.86 -40.95 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.997 -0.281 . . . . 0.4 110.648 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' HE ' ' A' ' 50' ' ' ARG . 1.4 m-20 -56.94 -44.94 83.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.042 0.449 . . . . 0.65 109.836 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HG ' HG11 ' A' ' 39' ' ' VAL . 6.9 tt -64.62 -36.25 83.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.024 -0.732 . . . . 1.81 109.024 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -68.04 -26.32 65.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.352 -0.84 . . . . 2.86 110.066 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -73.77 -38.9 64.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.917 -0.583 . . . . 2.04 110.463 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -65.84 -34.39 78.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 2.38 110.175 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 2.1 t-105 -74.84 -50.46 17.02 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.823 -0.626 . . . . 0.57 110.018 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' HG3' HD23 ' A' ' 83' ' ' LEU . 10.3 tmtt? -57.01 -40.91 77.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.744 -0.662 . . . . 1.06 110.971 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.5 m -72.28 -30.96 65.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.021 -0.536 . . . . 0.97 111.297 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD21 HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.93 -31.23 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 1.27 110.86 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -89.19 -40.93 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 0.47 111.12 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.481 ' HB2' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -63.18 -33.35 75.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.334 . . . . 1.24 110.287 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.5 t -79.38 -17.54 54.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.18 111.369 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.84 111.248 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 3.29 111.339 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 121.043 0.449 . . . . 3.3 110.818 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -42.23 -37.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.208 -0.906 . . . . 2.78 112.351 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -68.06 -59.81 2.97 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.686 0.279 . . . . 1.25 110.958 -179.435 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.444 HD23 ' HG3' ' A' ' 60' ' ' LYS . 56.6 mt -59.38 -24.56 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 0.57 111.004 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -71.33 -50.21 34.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 1.44 110.881 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -71.35 -19.9 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 2.17 110.818 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 82' ' ' LEU . 49.3 t -75.67 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.77 111.111 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.02 -25.34 66.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.41 -0.359 . . . . 1.21 110.668 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -72.15 -48.93 39.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 1.17 110.228 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.77 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 0.31 110.876 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 69.0 t60 -61.96 -55.67 27.04 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.061 0.458 . . . . 0.64 110.341 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.04 59.33 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.714 -0.755 . . . . 0.31 111.706 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -65.73 -49.87 66.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.656 -0.128 . . . . 0.34 110.656 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 9.5 m0 -56.95 -56.51 20.73 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.226 0.536 . . . . 0.32 110.099 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.4 p -55.44 -41.02 72.29 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.586 -0.733 . . . . 0.53 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 1.95 110.457 179.567 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.2 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.579 0.228 . . . . 1.35 110.507 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.17 -29.65 12.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.917 0.389 . . . . 0.44 111.191 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -50.93 72.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.464 . . . . 0.37 110.906 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.38 -35.66 78.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 2.51 110.381 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 17' ' ' SER . 93.9 t -55.99 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.42 110.613 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.3 tm-20 -51.36 -55.34 19.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.231 -0.44 . . . . 2.37 110.494 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.43 99.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.143 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.14 -25.41 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.709 -0.678 . . . . 0.54 110.138 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.517 HG13 ' CH2' ' A' ' 59' ' ' TRP . 10.6 t -76.88 -39.94 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 1.22 110.59 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -66.41 -21.51 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 1.65 110.346 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.85 -37.81 16.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 0.44 112.05 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.64 -17.96 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 112.857 0.688 . . . . 0.33 112.857 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.34 -10.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.913 0.338 . . . . 0.73 111.913 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -107.41 -46.76 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.866 0.321 . . . . 1.78 111.866 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -113.44 32.36 5.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.759 0.314 . . . . 0.99 111.444 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.8 -172.39 48.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.31 112.702 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.5 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 11.8 p -143.87 -42.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 1.39 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.08 24.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.008 -0.615 . . . . 0.48 112.438 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 5.5 ptm180 45.36 27.4 0.36 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.714 0.405 . . . . 4.45 111.572 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -56.48 -45.92 80.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.133 0.492 . . . . 3.87 110.479 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.445 HH21 HG12 ' A' ' 28' ' ' VAL . 24.8 ptt180 -71.76 -33.38 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 3.51 110.998 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.5 m-20 -65.97 -56.53 11.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 2.19 110.653 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 55' ' ' LEU . 13.0 p -58.74 -31.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 1.61 111.072 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HD3' ' NE2' ' A' ' 49' ' ' HIS . 21.2 mmmt -65.29 -45.69 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 2.16 111.34 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 40' ' ' LYS . 3.7 mm? -112.59 25.18 11.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.482 -0.327 . . . . 1.94 111.425 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.37 -45.18 80.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 1.02 110.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 45' ' ' GLU . . . -179.45 25.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.641 -0.709 . . . . 0.84 111.207 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 t80 67.59 14.37 9.53 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.186 -1.042 . . . . 3.45 108.186 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 15.8 mm-40 -85.03 -51.18 6.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.558 -1.201 . . . . 2.1 110.975 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.88 29.91 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.996 0.426 . . . . 0.83 110.637 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -1.68 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 0.98 111.705 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -118.31 5.14 11.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.64 -0.255 . . . . 2.33 111.036 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' NE2' ' HD3' ' A' ' 40' ' ' LYS . 77.3 m-70 63.17 118.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.125 -0.489 . . . . 3.59 111.12 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -101.97 -68.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 5.44 111.321 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -156.24 158.62 37.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.298 -0.41 . . . . 1.01 110.55 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -64.23 -46.68 82.73 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.576 0.213 . . . . 0.57 111.576 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 57.4 t -73.6 -38.38 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.968 -0.293 . . . . 0.4 110.518 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -62.28 -43.11 99.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.65 109.726 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.87 -38.83 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.551 -0.75 . . . . 1.81 109.244 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 59' ' ' TRP . 39.2 mmtt -79.81 -14.02 58.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.64 -0.709 . . . . 2.86 110.365 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.6 -43.03 70.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.825 -0.806 . . . . 2.04 108.825 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -78.66 -28.06 45.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.017 -0.992 . . . . 2.38 110.581 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.517 ' CH2' HG13 ' A' ' 25' ' ' VAL . 2.6 t-105 -73.97 -53.43 10.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.107 0.48 . . . . 0.57 109.725 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -58.64 -39.26 80.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.06 110.73 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.9 m -72.16 -30.28 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.127 0.489 . . . . 0.97 110.432 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -65.21 -35.41 80.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.634 -0.712 . . . . 1.27 110.701 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.511 HG13 HD23 ' A' ' 62' ' ' LEU . 17.8 m -88.74 -37.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.478 -0.328 . . . . 0.47 111.075 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.434 ' ND1' HD22 ' A' ' 82' ' ' LEU . 51.3 t60 -63.22 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.24 111.014 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -85.24 -17.04 38.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 1.18 111.146 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.91 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.84 111.504 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.51 -0.314 . . . . 3.29 111.267 -179.804 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 121.531 0.682 . . . . 3.3 110.465 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -41.21 -40.78 1.67 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.303 -1.317 . . . . 2.78 112.921 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -57.78 -60.73 3.26 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.779 -0.368 . . . . 1.25 111.56 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.75 -24.65 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.57 111.133 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.28 -48.1 62.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 1.44 111.242 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.46 -23.51 60.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 2.17 111.281 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 82' ' ' LEU . 45.2 t -72.99 -58.51 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.561 -0.29 . . . . 0.77 111.211 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.21 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -72.16 -50.99 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 1.17 110.619 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.97 -44.75 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.31 111.232 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.477 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 45.8 t60 -62.13 -55.92 23.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.207 0.527 . . . . 0.64 110.328 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.21 -25.08 61.9 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.31 111.646 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -67.15 -50.69 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.56 -0.163 . . . . 0.34 110.56 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.5 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 7.4 m0 -57.23 -56.03 27.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.233 0.54 . . . . 0.32 110.131 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -55.07 -39.4 69.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.578 -0.737 . . . . 0.53 111.038 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.95 110.539 179.521 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p . . . . . 0 CA--C 1.523 -0.063 0 CA-C-O 120.592 0.234 . . . . 1.35 110.448 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.95 -35.4 22.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 0.44 110.92 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 22' ' ' GLU . . . -56.7 -37.92 71.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.957 -0.565 . . . . 0.37 110.518 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.76 -25.89 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 2.51 110.123 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' VAL . 44.3 t -58.12 -35.17 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.675 -0.693 . . . . 0.42 110.912 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 23' ' ' ALA . 11.8 pt-20 -49.1 -49.61 41.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.018 0.437 . . . . 2.37 110.127 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 22' ' ' GLU . . . -63.43 -42.08 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 0.35 109.692 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.9 -28.53 66.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.688 -0.687 . . . . 0.54 110.099 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' HA ' HG22 ' A' ' 28' ' ' VAL . 76.6 t -72.8 -41.33 61.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.014 -0.539 . . . . 1.22 110.288 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.407 ' C ' ' HG2' ' A' ' 29' ' ' GLU . 36.0 tt0 -66.83 -20.14 65.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.97 -0.559 . . . . 1.65 110.44 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.465 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . . . -88.1 -39.02 14.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 0.44 111.938 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.9 m -85.69 -17.81 9.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 112.807 0.669 . . . . 0.33 112.807 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG2' ' C ' ' A' ' 26' ' ' GLN . 3.4 pt-20 -54.43 -15.81 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.853 0.316 . . . . 0.73 111.853 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' NZ ' ' HA ' ' A' ' 27' ' ' ALA . 18.5 pttm -105.25 -47.9 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.778 0.288 . . . . 1.78 111.778 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -104.71 28.24 7.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.79 0.329 . . . . 0.99 111.428 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.33 173.18 20.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.815 -0.707 . . . . 0.31 112.762 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.7 m -154.55 -35.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.322 . . . . 1.39 111.175 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.37 30.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.48 112.463 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HE ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER 45.48 25.23 0.22 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.77 0.428 . . . . 4.45 111.633 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -59.4 -48.87 79.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.955 0.407 . . . . 3.87 110.284 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.48 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 3.51 110.314 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' CYS . 11.1 t70 -65.83 -63.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.598 -0.728 . . . . 2.19 110.718 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -52.72 -27.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 1.61 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -69.15 -54.85 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 2.16 111.67 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -113.85 25.94 10.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.001 0.371 . . . . 1.94 112.001 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASP . 52.0 t -50.47 -45.89 56.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.128 0.489 . . . . 1.02 109.921 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 176.73 26.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.159 -0.928 . . . . 0.84 110.975 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.7 t80 67.04 10.93 8.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.827 -1.175 . . . . 3.45 107.827 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -85.96 -48.49 8.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.489 -1.232 . . . . 2.1 111.329 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.12 24.67 12.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.83 110.982 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.39 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.98 111.107 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -107.31 -8.06 16.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 2.33 110.786 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 63.74 110.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 3.59 111.04 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -93.98 -66.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 5.44 111.137 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 15.0 m -153.57 154.21 33.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.01 110.744 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.455 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.26 -45.76 93.19 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.829 0.307 . . . . 0.57 111.829 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 74.1 t -77.3 -43.65 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.005 -0.278 . . . . 0.4 110.956 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.51 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -55.14 -50.27 69.71 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.03 0.443 . . . . 0.65 110.09 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.466 HD12 ' HE ' ' A' ' 35' ' ' ARG . 3.0 tm? -62.31 -37.46 85.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.285 -0.635 . . . . 1.81 109.285 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -66.23 -25.71 67.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.801 -0.636 . . . . 2.86 110.059 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 48.7 m-20 -72.48 -39.41 67.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.982 -0.554 . . . . 2.04 110.243 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.08 -33.56 76.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 2.38 110.196 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -75.54 -45.53 37.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.612 -0.722 . . . . 0.57 110.379 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -63.29 -33.94 76.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 1.06 111.075 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.653 ' HA ' ' ND1' ' A' ' 64' ' ' HIS . 15.0 t -79.85 -28.07 40.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.504 . . . . 0.97 110.481 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.55 -0.75 . . . . 1.27 110.538 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.78 -36.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.47 112.181 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.653 ' ND1' ' HA ' ' A' ' 61' ' ' THR . 0.5 OUTLIER -75.95 -32.53 59.58 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.667 -0.413 . . . . 1.24 110.689 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.3 m -78.87 -17.22 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 1.18 110.375 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.54 -72.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 0.84 111.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 67' ' ' LYS . 3.7 ttmp? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 3.29 111.392 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.582 0.23 . . . . 3.3 111.544 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.548 ' HG3' HD23 ' A' ' 82' ' ' LEU . 12.3 pt-20 -48.79 -54.04 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 2.78 111.516 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.548 HD23 ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -50.59 -57.45 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 1.25 111.446 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.07 -34.12 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 0.57 111.203 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -65.56 -50.7 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.44 111.195 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -71.14 -20.31 62.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 2.17 111.019 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 82' ' ' LEU . 27.0 t -70.99 -61.75 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.305 -0.407 . . . . 0.77 110.643 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.09 -25.11 67.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 1.21 110.378 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.38 -48.74 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.135 0.493 . . . . 1.17 110.051 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.7 98.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.58 -0.737 . . . . 0.31 110.893 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.63 -55.66 28.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.954 0.407 . . . . 0.64 110.311 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.74 -33.71 55.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.647 -0.787 . . . . 0.31 111.666 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.533 -0.173 . . . . 0.34 110.533 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -55.93 -57.94 10.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.14 0.495 . . . . 0.32 110.32 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.9 p -58.12 -33.95 69.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.525 -0.761 . . . . 0.53 111.668 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 1.95 111.026 -179.796 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 47.2 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.555 0.217 . . . . 1.35 110.597 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.39 -31.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.896 0.379 . . . . 0.44 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.48 -48.97 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.37 110.466 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -35.5 81.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.704 -0.68 . . . . 2.51 110.37 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.4 t -58.56 -32.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.42 110.561 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 40.2 tt0 -49.66 -57.28 7.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 2.37 110.412 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.11 94.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.35 110.036 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.56 -26.3 65.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.75 -0.659 . . . . 0.54 110.276 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' A' ' 28' ' ' VAL . 25.2 t -75.99 -40.33 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.94 -0.573 . . . . 1.22 110.377 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.02 -21.49 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 1.65 110.424 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.77 -37.53 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.917 -0.583 . . . . 0.44 112.098 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.5 m -85.66 -18.29 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 112.729 0.64 . . . . 0.33 112.729 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.51 -10.33 2.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.901 0.334 . . . . 0.73 111.901 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -106.14 -47.69 3.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.77 0.285 . . . . 1.78 111.77 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -113.72 32.98 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.99 111.454 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.5 51.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.31 112.795 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.436 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 60.0 m -151.97 -40.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.781 0.324 . . . . 1.39 110.973 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.07 19.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.836 -0.697 . . . . 0.48 112.607 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 43.26 25.01 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.782 0.433 . . . . 4.45 111.386 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.436 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 7.9 p-90 -59.14 -41.71 88.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 3.87 111.118 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.75 -33.08 71.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 3.51 110.517 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.9 m-20 -66.61 -53.97 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.91 -0.586 . . . . 2.19 110.968 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.587 HG21 HD12 ' A' ' 55' ' ' LEU . 12.5 p -60.67 -30.79 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 1.61 111.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -66.79 -46.22 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 2.16 111.192 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.79 25.22 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 1.94 111.579 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' HG21 ' A' ' 21' ' ' VAL . 41.6 t -52.3 -46.08 65.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.122 0.487 . . . . 1.02 109.905 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 179.93 24.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.32 -0.855 . . . . 0.84 111.046 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 t80 69.03 8.76 7.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 108.199 -1.037 . . . . 3.45 108.199 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.98 -51.49 6.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.566 -1.197 . . . . 2.1 111.228 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.05 25.94 8.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.83 110.996 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -8.75 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.98 111.043 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.87 -8.0 20.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 2.33 110.757 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m80 63.34 109.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 3.59 111.162 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -73.45 -76.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 5.44 110.959 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.497 HG22 ' HD1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -158.06 175.95 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.272 -0.422 . . . . 1.01 110.483 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.497 ' HD1' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -63.76 -47.47 80.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.647 0.24 . . . . 0.57 111.647 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 99.2 t -78.44 -39.1 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.837 -0.345 . . . . 0.4 110.693 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 -40.74 84.68 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.136 0.494 . . . . 0.65 109.913 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 HG21 ' A' ' 39' ' ' VAL . 5.9 tt -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.64 -0.709 . . . . 1.81 109.604 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -68.34 -16.84 64.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 2.86 110.1 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.13 -48.83 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 2.04 109.99 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -63.07 -31.26 72.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 2.38 110.282 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.404 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.7 t-105 -75.4 -48.18 24.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.737 -0.665 . . . . 0.57 110.226 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.528 ' HD2' HD13 ' A' ' 82' ' ' LEU . 1.6 ttpm? -55.74 -40.39 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.731 -0.668 . . . . 1.06 110.387 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 64' ' ' HIS . 36.1 m -77.15 -25.24 51.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.712 -0.676 . . . . 0.97 110.364 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.73 97.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 1.27 110.205 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 18.1 m -83.98 -43.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.47 110.697 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 61' ' ' THR . 13.4 t-160 -50.22 -53.6 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.045 -0.525 . . . . 1.24 110.673 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -57.39 -27.46 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 1.18 111.704 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 63' ' ' VAL . . . -59.96 -88.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.619 -0.264 . . . . 0.84 111.233 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt . . . . . 0 N--CA 1.462 0.151 0 CA-C-N 116.715 -0.22 . . . . 3.29 111.377 -179.863 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.752 0.311 . . . . 3.3 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.14 -47.46 62.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.913 -0.585 . . . . 2.78 111.643 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 83' ' ' LEU . 1.1 pp -58.38 -36.35 73.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.623 -0.262 . . . . 1.25 111.573 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.73 ' N ' HD12 ' A' ' 82' ' ' LEU . 19.4 mt -77.64 -29.09 51.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.57 111.205 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -71.15 -50.42 33.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.409 . . . . 1.44 111.379 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.68 -31.26 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.399 -0.364 . . . . 2.17 111.811 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.49 HG21 ' HA ' ' A' ' 60' ' ' LYS . 5.0 t -70.18 -57.2 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.655 0.264 . . . . 0.77 111.178 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.84 -30.61 67.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.955 0.407 . . . . 1.21 110.276 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -73.55 -41.33 63.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 1.17 110.217 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.41 21.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.606 -0.725 . . . . 0.31 110.924 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -58.94 -51.41 70.17 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.243 0.544 . . . . 0.64 110.189 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.77 -30.95 57.56 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.386 -0.824 . . . . 0.31 111.833 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.85 -40.16 83.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.682 0.277 . . . . 0.34 110.294 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -58.72 -55.97 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.32 110.51 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -67.22 -48.52 67.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.77 -0.65 . . . . 0.53 112.216 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 C--N 1.328 -0.341 0 N-CA-C 112.147 0.425 . . . . 1.95 112.147 -178.921 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 21' ' ' VAL . 42.7 t . . . . . 0 N--CA 1.457 -0.094 0 N-CA-C 110.339 -0.245 . . . . 1.35 110.339 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -46.13 -35.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.795 0.331 . . . . 0.44 111.485 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.85 84.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.37 110.842 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.35 -33.74 69.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 2.51 110.402 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 25' ' ' VAL . 65.2 t -56.21 -34.74 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.976 -0.556 . . . . 0.42 110.608 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.49 -54.9 22.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.229 -0.441 . . . . 2.37 110.309 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.27 83.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.35 110.212 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.09 -31.22 66.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.654 -0.703 . . . . 0.54 110.427 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.6 t -69.32 -42.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 1.22 110.377 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -66.78 -20.37 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.65 110.437 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.09 -36.06 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.44 112.002 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.6 m -85.99 -18.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 112.794 0.664 . . . . 0.33 112.794 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -57.83 -10.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.01 0.374 . . . . 0.73 112.01 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.613 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 56.5 pttt -100.7 -47.76 4.73 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.863 0.32 . . . . 1.78 111.863 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.613 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -118.6 32.56 6.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.774 0.321 . . . . 0.99 111.498 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.8 -179.51 28.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.79 -0.719 . . . . 0.31 112.756 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.5 m -151.22 -37.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.303 . . . . 1.39 110.829 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 176.91 28.49 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.48 112.474 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 44.39 28.94 0.34 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.709 0.29 . . . . 4.45 111.495 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -64.54 -48.91 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 3.87 110.194 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' H ' ' HD2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -72.53 -26.51 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 3.51 110.726 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -57.22 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 2.19 110.241 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.71 HG21 HD11 ' A' ' 55' ' ' LEU . 32.7 m -61.36 -27.22 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.117 -0.492 . . . . 1.61 110.448 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.52 -51.75 61.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.793 -0.64 . . . . 2.16 111.362 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.7 mt -113.25 25.02 11.7 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.133 0.42 . . . . 1.94 112.133 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.8 p -57.9 -45.81 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.706 -0.479 . . . . 1.02 109.706 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.43 27.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.28 -0.873 . . . . 0.84 110.715 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.1 t80 66.77 17.63 10.59 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.449 -1.315 . . . . 3.45 107.449 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.38 -54.66 4.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.043 -1.435 . . . . 2.1 111.164 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -97.99 17.05 19.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.83 110.777 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -5.96 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.98 111.429 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -95.4 -25.78 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.546 -0.297 . . . . 2.33 110.569 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 55.34 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.864 -0.607 . . . . 3.59 111.324 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -71.28 -83.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 5.44 111.036 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -147.17 179.94 7.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.417 -0.356 . . . . 1.01 110.737 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.428 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.4 OUTLIER -60.69 -46.18 91.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.056 0.391 . . . . 0.57 112.056 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 93.2 t -79.85 -40.36 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.037 -0.265 . . . . 0.4 111.407 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.984 0.421 . . . . 0.65 110.437 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 39' ' ' VAL . 9.7 tt -65.7 -51.64 57.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 1.81 110.112 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -63.72 -20.87 66.08 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 2.86 109.955 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -50.92 51.64 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.535 -0.543 . . . . 2.04 109.535 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -61.37 -25.65 67.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.597 -0.729 . . . . 2.38 109.702 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.5 t-105 -76.91 -47.48 20.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.522 -0.763 . . . . 0.57 109.993 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.4 ttpm? -58.59 -33.62 70.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 1.06 110.51 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.436 ' HA ' ' HB3' ' A' ' 64' ' ' HIS . 42.3 m -82.71 -26.59 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.623 . . . . 0.97 109.778 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.18 -35.48 80.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 1.27 109.948 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -89.46 -42.97 14.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 0.47 110.37 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.543 ' HB2' HD13 ' A' ' 82' ' ' LEU . 14.1 t60 -53.26 -35.77 60.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.959 -0.564 . . . . 1.24 110.919 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -88.58 -17.32 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 1.18 111.401 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.05 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 0.84 111.603 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 3.6 ttmp? . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.985 0.421 . . . . 3.29 110.971 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.882 0.372 . . . . 3.3 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -48.3 -35.6 12.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 2.78 111.614 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -65.09 -59.92 3.6 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.385 -0.371 . . . . 1.25 110.605 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.89 -36.36 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.57 110.902 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.65 -51.5 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.91 -0.586 . . . . 1.44 111.427 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.71 -20.02 64.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.639 -0.255 . . . . 2.17 111.603 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 82' ' ' LEU . 53.2 t -75.46 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.648 0.261 . . . . 0.77 111.301 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.51 -24.64 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 1.21 111.246 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -76.83 -55.75 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 1.17 110.694 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.53 85.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.31 110.931 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.453 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 60.7 t60 -58.66 -55.69 31.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.209 0.528 . . . . 0.64 110.378 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -31.89 61.6 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.741 -0.742 . . . . 0.31 111.846 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -67.57 -42.41 82.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.607 0.242 . . . . 0.34 110.675 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.453 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 26.7 m0 -58.0 -54.08 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.415 . . . . 0.32 110.299 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 p -67.11 -49.76 63.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.616 . . . . 0.53 111.963 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 1.95 111.705 -179.248 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.2 p . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 110.461 -0.2 . . . . 1.54 110.461 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.98 -32.61 15.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.897 0.379 . . . . 0.65 110.856 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.53 73.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.065 -0.516 . . . . 0.63 110.484 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.73 -35.63 81.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 2.03 110.222 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 25' ' ' VAL . 92.0 t -56.05 -33.57 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.87 -0.604 . . . . 1.1 110.502 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.4 tm-20 -50.45 -53.73 27.46 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.186 -0.461 . . . . 2.29 110.16 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.73 96.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.45 110.006 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.04 -27.49 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.669 -0.696 . . . . 0.63 110.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.502 ' HA ' HG22 ' A' ' 28' ' ' VAL . 40.4 t -73.44 -42.76 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 2.08 110.444 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.88 -21.66 66.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 2.43 110.537 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.6 -35.8 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.56 112.099 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.9 m -85.96 -18.49 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.601 0.593 . . . . 0.44 112.601 -178.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.24 -10.15 14.43 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.932 0.345 . . . . 1.13 111.932 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.596 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -104.01 -45.39 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.181 0.437 . . . . 1.48 112.181 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.1 pp -122.24 32.14 5.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.878 0.325 . . . . 0.81 111.878 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.96 -173.58 48.85 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.656 -0.783 . . . . 0.33 112.76 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.535 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.2 m -141.17 -38.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.015 0.436 . . . . 1.33 110.646 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . -174.82 25.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.65 112.22 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.519 HH11 HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER 40.87 27.52 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.115 0.566 . . . . 4.26 111.817 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.443 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 34.9 m95 -58.25 -44.28 88.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 4.61 110.317 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -68.72 -23.91 64.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.78 -0.645 . . . . 3.3 110.63 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 3.4 m-20 -73.8 -52.03 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.78 110.94 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.496 HG11 HD13 ' A' ' 55' ' ' LEU . 13.9 p -64.53 -30.58 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 2.01 111.333 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 41' ' ' LEU . 14.3 mptt -73.11 -41.85 63.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.465 -0.334 . . . . 3.34 111.236 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 40' ' ' LYS . 7.9 mp -112.77 24.74 12.11 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.877 0.325 . . . . 2.44 111.877 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.55 -46.05 84.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 1.36 109.916 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -176.73 25.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 1.0 110.846 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 66.77 11.98 8.58 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.559 -0.904 . . . . 3.34 108.559 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -85.91 -51.8 6.14 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.613 -1.176 . . . . 2.12 111.389 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -105.76 24.24 12.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 1.46 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.71 -7.16 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.12 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.79 -0.04 57.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.986 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 37.81 94.23 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.602 0.564 . . . . 5.11 112.171 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.71 -69.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 5.96 111.098 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -160.0 178.6 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 0.99 110.611 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.509 ' H ' HG22 ' A' ' 51' ' ' THR . 0.9 OUTLIER -63.59 -48.04 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.083 -0.247 . . . . 0.59 111.589 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.423 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 74.2 t -79.78 -37.59 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.611 0.243 . . . . 0.46 110.841 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.51 -52.97 62.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.996 0.427 . . . . 0.71 110.519 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 HH11 ' A' ' 35' ' ' ARG . 0.4 OUTLIER -63.19 -37.73 88.4 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.571 -0.529 . . . . 1.69 109.571 179.218 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 tppt? -66.37 -26.74 67.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.998 -0.546 . . . . 3.41 109.9 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.23 -48.02 66.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.702 -0.681 . . . . 2.08 109.712 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -56.61 -37.04 70.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 3.01 109.738 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.51 -45.84 71.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.75 109.968 179.004 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HB2' HG21 ' A' ' 86' ' ' VAL . 5.1 tmtt? -58.73 -33.33 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.539 -0.755 . . . . 1.68 110.726 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.409 ' N ' ' HD3' ' A' ' 60' ' ' LYS . 57.6 m -84.6 -27.09 27.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.281 0.562 . . . . 1.2 110.111 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -34.63 77.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.177 -0.92 . . . . 1.34 110.578 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.42 -31.81 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 0.56 111.198 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -69.73 -38.39 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 1.52 110.89 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.7 m -78.03 -17.35 57.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.086 -0.506 . . . . 1.74 111.028 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 0.64 111.409 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.531 -0.304 . . . . 3.49 111.344 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.801 0.334 . . . . 2.18 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -47.68 -38.06 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.806 -0.634 . . . . 1.84 111.609 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 83' ' ' LEU . 2.3 pp -60.67 -51.7 68.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.523 -0.308 . . . . 1.5 111.166 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 82' ' ' LEU . 16.9 mt -63.86 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.74 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -68.57 -47.26 67.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 1.33 111.512 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -75.37 -29.51 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 2.4 111.878 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 82' ' ' LEU . 40.2 t -70.44 -52.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 0.55 111.232 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.39 -31.04 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 1.24 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.15 -57.81 4.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 1.18 110.821 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.14 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.952 -0.567 . . . . 0.27 111.156 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.408 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 11.3 t-160 -61.42 -55.32 32.75 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.139 0.495 . . . . 1.32 110.39 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.14 -29.74 56.57 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.34 111.919 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -67.13 -47.12 72.06 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.526 -0.176 . . . . 0.4 110.526 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 18.5 m0 -55.95 -55.52 31.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.502 . . . . 0.42 110.14 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p -59.39 -48.89 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.5 110.958 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 2.24 110.449 179.596 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.591 0.234 . . . . 1.54 110.674 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.2 p -59.9 -25.99 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.142 0.496 . . . . 0.65 110.685 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.78 85.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.57 . . . . 0.63 110.402 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.06 -40.75 30.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.752 -0.658 . . . . 2.03 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 18' ' ' VAL . 2.8 p -61.29 -24.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.366 -0.379 . . . . 1.1 110.521 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HA ' HD11 ' A' ' 62' ' ' LEU . 36.8 tt0 -54.32 -49.1 70.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.378 0.608 . . . . 2.29 110.136 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.26 73.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.644 -0.707 . . . . 0.45 110.364 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.65 -42.96 93.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 0.63 111.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' A' ' 28' ' ' VAL . 32.2 m -73.75 -27.0 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 2.08 110.811 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -73.82 -21.27 60.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 2.43 110.046 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.5 -38.48 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.783 -0.644 . . . . 0.56 111.55 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.6 m -82.98 -18.06 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.363 -0.381 . . . . 0.44 111.974 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -22.94 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.672 0.272 . . . . 1.13 111.547 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.545 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 20.6 ptmt -96.91 -47.72 5.72 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.249 0.463 . . . . 1.48 112.249 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.545 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.5 pp -110.34 33.69 4.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.867 0.365 . . . . 0.81 111.567 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -76.33 -175.19 39.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.87 -0.681 . . . . 0.33 112.782 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.516 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 62.4 m -157.12 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 1.33 110.948 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' HG3' ' A' ' 35' ' ' ARG . . . -176.6 24.48 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.694 -0.765 . . . . 0.65 112.731 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HD3' ' HZ3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER 44.63 29.8 0.45 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.754 0.311 . . . . 4.26 111.361 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -62.59 -47.96 81.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.177 0.513 . . . . 4.61 110.258 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -65.05 -36.82 85.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.777 -0.647 . . . . 3.3 110.43 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' CYS . 8.3 m-20 -63.77 -63.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.78 110.846 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.488 HG23 HD13 ' A' ' 55' ' ' LEU . 9.0 p -50.1 -30.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.41 -0.359 . . . . 2.01 111.549 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -68.3 -54.31 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.471 -0.331 . . . . 3.34 111.756 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.6 26.04 10.73 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.143 0.423 . . . . 2.44 112.143 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' ASP . 41.4 t -51.63 -45.99 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 1.36 110.035 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.18 25.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.157 -0.929 . . . . 1.0 111.006 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.5 t80 67.41 11.18 8.25 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.98 -1.118 . . . . 3.34 107.98 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -85.76 -47.7 9.5 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.496 -1.229 . . . . 2.12 111.357 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.4 25.44 11.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.46 111.095 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.62 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.261 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -108.33 -8.9 15.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 2.25 110.937 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 62.63 110.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.051 -0.522 . . . . 5.11 111.045 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -95.9 -69.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 5.96 111.223 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.48 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 17.5 m -149.73 155.06 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.99 110.754 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.75 -46.4 89.76 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 111.803 0.297 . . . . 0.59 111.803 -179.604 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.451 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 64.0 t -75.5 -42.05 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.954 -0.299 . . . . 0.46 110.781 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.4 m-20 -55.82 -47.62 76.86 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.068 0.461 . . . . 0.71 109.889 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.488 HD13 HG23 ' A' ' 39' ' ' VAL . 18.5 tp -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.854 -0.612 . . . . 1.69 109.393 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HZ3' ' HD3' ' A' ' 35' ' ' ARG . 17.1 tppt? -69.32 -24.47 63.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.568 -0.742 . . . . 3.41 110.163 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.77 -43.21 63.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 2.08 110.349 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.85 -28.78 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 3.01 110.077 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -72.49 -49.27 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.674 -0.693 . . . . 0.75 110.174 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.482 ' CB ' HG21 ' A' ' 86' ' ' VAL . 21.9 ptmt -68.5 -32.51 72.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.585 -0.734 . . . . 1.68 111.103 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.9 m -75.4 -25.29 57.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.47 0.653 . . . . 1.2 109.832 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.448 HD11 ' HA ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -73.44 -36.34 65.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.146 -0.934 . . . . 1.34 110.224 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.62 -24.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.56 111.234 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -75.99 -42.67 47.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 1.52 110.685 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 m -74.08 -17.17 60.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 1.74 110.85 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.81 -71.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 0.64 111.439 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 3.49 111.312 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.979 0.418 . . . . 2.18 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.75 -58.19 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.58 -0.736 . . . . 1.84 112.343 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 82' ' ' LEU . 2.0 pt? -56.94 -48.8 77.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.612 0.227 . . . . 1.5 111.612 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.87 -32.56 67.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.709 0.29 . . . . 0.74 111.488 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -76.11 -52.73 9.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 1.33 111.806 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.88 -21.27 64.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.88 0.326 . . . . 2.4 111.88 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.482 HG21 ' CB ' ' A' ' 60' ' ' LYS . 49.0 t -84.76 -60.44 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.686 -0.234 . . . . 0.55 111.615 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.64 -26.37 61.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.749 0.309 . . . . 1.24 110.842 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -72.87 -49.59 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 1.18 110.357 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 92' ' ' TYR . . . -57.74 -46.8 83.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.724 -0.671 . . . . 0.27 111.229 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -60.71 -55.59 31.36 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.111 0.481 . . . . 1.32 110.343 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.34 -24.94 62.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.7 -0.762 . . . . 0.34 111.804 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 89' ' ' ALA . 38.8 t80 -66.65 -50.86 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.654 -0.128 . . . . 0.4 110.654 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.516 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 5.6 m0 -58.44 -54.23 49.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.225 0.536 . . . . 0.42 109.967 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.7 p -54.72 -38.9 67.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.534 -0.757 . . . . 0.5 110.722 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 2.24 110.31 179.255 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.9 m . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.589 0.233 . . . . 1.54 110.556 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -51.19 -26.87 5.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.383 -0.372 . . . . 0.65 111.176 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.78 11.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.17 -0.468 . . . . 0.63 111.053 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.03 110.476 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HA ' ' A' ' 42' ' ' CYS . 95.9 t -58.1 -27.22 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 1.1 110.82 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.22 -48.73 73.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 2.29 110.552 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.76 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.45 110.489 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.17 -49.54 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.698 -0.683 . . . . 0.63 110.711 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.712 ' HA ' HG22 ' A' ' 28' ' ' VAL . 28.2 m -67.67 -30.45 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 2.08 110.779 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -64.17 -23.88 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.297 0.57 . . . . 2.43 109.854 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.25 -33.03 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.473 -0.785 . . . . 0.56 111.877 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 25' ' ' VAL . 5.5 m -85.81 -18.49 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.74 0.644 . . . . 0.44 112.74 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.87 -10.24 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.86 0.318 . . . . 1.13 111.86 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.631 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.7 pttt -106.76 -44.93 4.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.346 . . . . 1.48 111.933 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.631 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -123.96 35.57 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.878 0.37 . . . . 0.81 111.635 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.89 -172.52 44.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.791 -0.718 . . . . 0.33 112.91 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 12.0 p -136.91 -41.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 1.33 111.061 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA3' ' NE1' ' A' ' 36' ' ' TRP . . . -179.98 27.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.705 -0.759 . . . . 0.65 112.485 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 41.22 31.89 0.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.775 0.43 . . . . 4.26 111.738 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.42 ' NE1' ' HA3' ' A' ' 34' ' ' GLY . 48.4 m95 -66.92 -43.24 83.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.06 0.457 . . . . 4.61 110.403 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -70.06 -31.59 69.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 3.3 111.022 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.23 -55.64 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.78 110.712 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.584 HG11 HD11 ' A' ' 55' ' ' LEU . 8.7 p -59.77 -32.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.339 -0.391 . . . . 2.01 111.064 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ALA . 26.3 mmmt -64.28 -45.38 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 3.34 111.37 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.08 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.574 -0.285 . . . . 2.44 111.602 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.522 ' HA ' HG21 ' A' ' 21' ' ' VAL . 51.9 t -54.64 -45.48 73.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.407 . . . . 1.36 110.228 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 179.18 25.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.006 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 67.52 12.36 8.85 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.991 -1.114 . . . . 3.34 107.991 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.67 -53.56 5.08 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.447 -1.251 . . . . 2.12 111.324 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -114.25 31.76 6.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 1.46 110.74 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -66.05 0.07 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.56 111.584 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.87 1.16 11.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.635 -0.257 . . . . 2.25 111.195 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 63.2 117.91 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.484 . . . . 5.11 111.101 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -91.91 -64.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 5.96 111.398 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.479 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.9 m -156.77 157.16 34.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.399 -0.364 . . . . 0.99 110.499 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.444 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.56 -45.81 92.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.724 0.268 . . . . 0.59 111.724 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 76.4 t -77.25 -40.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 121.036 -0.266 . . . . 0.46 111.095 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.1 m-20 -60.25 -49.72 76.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.066 0.46 . . . . 0.71 109.945 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.584 HD11 HG11 ' A' ' 39' ' ' VAL . 6.8 tt -58.14 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.058 -0.719 . . . . 1.69 109.058 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 56' ' ' LYS . 5.6 tmmm? -67.02 -27.39 67.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 3.41 110.505 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.25 -48.5 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 2.08 110.583 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -62.86 -36.8 84.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.801 -0.636 . . . . 3.01 110.536 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.456 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -68.24 -44.2 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.82 -0.627 . . . . 0.75 110.54 179.559 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -62.58 -32.75 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 1.68 110.825 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -84.65 -26.84 27.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.628 0.728 . . . . 1.2 109.701 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.499 HD21 HG11 ' A' ' 25' ' ' VAL . 7.5 tp -64.89 -33.58 76.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.804 -1.089 . . . . 1.34 110.3 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 64' ' ' HIS . 17.0 m -89.36 -45.22 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.56 110.384 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.495 ' HB2' HD13 ' A' ' 82' ' ' LEU . 45.1 t60 -52.82 -37.87 60.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.17 -0.468 . . . . 1.52 110.758 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.4 m -81.52 -22.43 37.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 1.74 111.227 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.64 111.461 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.48 -0.327 . . . . 3.49 111.006 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 . . . . . 0 N--CA 1.46 0.065 0 CA-C-O 120.959 0.409 . . . . 2.18 110.953 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -48.31 -36.14 13.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 1.84 111.832 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -63.15 -59.59 4.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 1.5 110.798 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.34 -35.53 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.74 110.983 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.8 -51.27 65.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 1.33 111.216 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -69.89 -19.82 63.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 2.4 111.289 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 82' ' ' LEU . 38.4 t -72.35 -61.6 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 0.55 110.887 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.72 -25.67 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 1.24 110.717 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.87 -52.2 11.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 1.18 110.552 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.31 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.27 111.245 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -54.16 -55.59 26.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.165 0.507 . . . . 1.32 110.481 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.48 -33.36 62.08 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.757 . . . . 0.34 111.861 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.54 -40.3 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.577 0.227 . . . . 0.4 110.69 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 34.5 m0 -58.03 -57.58 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.056 0.455 . . . . 0.42 110.176 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.7 p -64.75 -50.04 68.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.586 -0.734 . . . . 0.5 112.178 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 2.24 111.854 -179.096 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 C--O 1.231 0.092 0 N-CA-C 110.066 -0.346 . . . . 1.54 110.066 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.64 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.936 0.398 . . . . 0.65 110.591 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.96 88.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.617 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.73 -41.15 92.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.03 110.015 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 25' ' ' VAL . 61.4 t -51.74 -35.23 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.793 -0.639 . . . . 1.1 110.56 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.6 tm-20 -51.5 -50.24 60.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.159 -0.473 . . . . 2.29 110.013 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.56 92.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.45 109.821 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.41 -29.65 64.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.468 -0.787 . . . . 0.63 110.126 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.499 ' HA ' HG22 ' A' ' 28' ' ' VAL . 56.5 t -70.38 -41.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 2.08 110.259 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.16 -21.53 66.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 2.43 110.396 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.54 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.939 -0.573 . . . . 0.56 111.966 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.86 -18.01 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 112.783 0.66 . . . . 0.44 112.783 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.84 -10.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.034 0.383 . . . . 1.13 112.034 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.601 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -102.21 -47.7 4.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.72 0.266 . . . . 1.48 111.72 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.601 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.9 pp -116.08 32.02 6.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 0.81 111.494 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.28 179.7 32.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.33 112.831 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.5 m -154.91 -41.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.33 110.958 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -172.8 22.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.65 112.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.496 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 3.8 ptm180 44.61 26.24 0.18 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.667 0.387 . . . . 4.26 111.627 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -53.68 -43.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.042 0.448 . . . . 4.61 110.652 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.5 -31.3 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 3.3 110.994 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.4 m-20 -67.47 -57.87 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.78 110.614 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.603 HG21 HD12 ' A' ' 55' ' ' LEU . 7.2 p -57.66 -31.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 2.01 110.849 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -64.28 -50.49 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 3.34 111.583 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.8 tp -113.3 26.02 10.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.827 0.306 . . . . 2.44 111.827 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 53.0 t -52.86 -45.11 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 1.36 109.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB3' ' HG2' ' A' ' 45' ' ' GLU . . . 173.96 28.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.624 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 64.78 14.9 9.48 Favored 'General case' 0 CA--C 1.513 -0.481 0 N-CA-C 108.029 -1.1 . . . . 3.34 108.029 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 16.1 mm-40 -85.34 -53.14 5.41 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.356 -1.293 . . . . 2.12 111.204 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.91 27.31 9.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 1.46 110.871 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -4.05 3.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.494 . . . . 1.56 111.338 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -101.61 -17.09 16.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 2.25 110.736 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 62.07 105.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.926 -0.579 . . . . 5.11 111.326 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -78.79 -80.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 5.96 110.88 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.6 p -146.65 176.62 9.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.486 -0.325 . . . . 0.99 110.937 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.44 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -60.32 -46.06 91.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.59 111.906 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.44 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 92.8 t -76.23 -47.61 30.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.121 -0.232 . . . . 0.46 111.043 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -48.28 67.59 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.71 110.362 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 39' ' ' VAL . 5.4 tt -62.19 -40.05 94.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 1.69 109.597 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.19 -21.24 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 3.41 110.614 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.53 -44.75 41.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 2.08 110.284 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -65.25 -29.34 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 3.01 110.134 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.458 ' CH2' HG13 ' A' ' 25' ' ' VAL . 2.2 t-105 -78.61 -49.55 13.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.75 110.331 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HA ' HG21 ' A' ' 86' ' ' VAL . 6.7 tmtt? -56.68 -34.27 67.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 1.68 110.682 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.2 m -83.79 -26.3 29.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 1.2 109.847 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tp -64.1 -31.99 73.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.205 -0.907 . . . . 1.34 110.208 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 64' ' ' HIS . 18.0 m -89.93 -44.84 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 0.56 110.452 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.454 ' CG ' HD13 ' A' ' 82' ' ' LEU . 34.4 t60 -55.38 -33.78 63.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.135 0.493 . . . . 1.52 110.733 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.1 t -78.64 -22.81 46.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 1.74 111.556 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.42 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.471 -0.331 . . . . 0.64 111.489 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 3.49 110.891 -179.858 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 2.18 110.71 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -52.23 -35.86 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 1.84 111.783 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -64.93 -59.79 3.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.537 -0.301 . . . . 1.5 110.901 -179.505 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.88 -24.86 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.74 111.078 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.76 -51.04 45.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 1.33 110.473 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.84 -20.07 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 2.4 110.554 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 82' ' ' LEU . 13.3 t -73.86 -57.88 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 0.55 110.657 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.78 -29.45 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.24 110.355 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.24 -46.98 53.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 1.18 110.405 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.64 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 0.27 111.341 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.48 -53.28 59.96 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 1.32 110.593 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.49 50.61 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.528 -0.76 . . . . 0.34 111.879 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.85 -41.09 95.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.4 110.34 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -56.22 -57.58 11.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.42 110.671 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -67.81 -48.08 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.5 112.438 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 2.24 111.696 -179.165 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 80.0 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.606 0.241 . . . . 1.54 110.72 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.49 -31.87 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.244 -0.435 . . . . 0.65 111.474 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.08 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.63 111.108 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.46 -41.56 88.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 2.03 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG21 ' SG ' ' A' ' 42' ' ' CYS . 61.8 t -57.47 -31.12 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.1 110.81 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -49.0 -58.35 5.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 2.29 110.114 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.19 86.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.45 109.935 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.64 -28.98 66.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.7 -0.682 . . . . 0.63 110.377 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 28' ' ' VAL . 54.4 t -75.35 -38.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 2.08 110.306 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.47 -22.55 66.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.021 -0.536 . . . . 2.43 110.65 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.41 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 0.56 112.063 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.58 -18.09 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 112.615 0.598 . . . . 0.44 112.615 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -58.2 -10.46 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.782 0.29 . . . . 1.13 111.782 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 59.4 pttt -107.48 -47.73 3.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.676 0.25 . . . . 1.48 111.676 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -110.25 28.7 8.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.882 0.372 . . . . 0.81 111.448 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.57 -178.64 25.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.883 -0.675 . . . . 0.33 112.822 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 p -145.38 -49.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.33 111.236 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.01 22.04 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.917 -0.659 . . . . 0.65 112.316 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 42.56 24.59 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.817 0.447 . . . . 4.26 111.816 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -71.11 -44.72 65.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 4.61 111.079 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.02 -34.5 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.927 0.394 . . . . 3.3 111.263 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -67.51 -62.41 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.78 111.454 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.596 HG11 ' HG ' ' A' ' 55' ' ' LEU . 43.6 t -57.04 -38.49 60.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 2.01 111.836 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.35 -33.68 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 3.34 111.17 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.22 18.77 18.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.721 0.296 . . . . 2.44 111.1 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 21' ' ' VAL . 17.0 t -51.99 -50.25 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 1.36 110.514 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 178.31 29.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.703 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.2 t80 69.21 15.92 8.55 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 107.703 -1.221 . . . . 3.34 107.703 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.2 -54.13 6.58 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.088 -1.415 . . . . 2.12 110.558 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.53 ' HB3' HG12 ' A' ' 39' ' ' VAL . 15.9 t70 -119.2 25.2 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.018 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -22.1 60.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.942 -0.572 . . . . 1.56 111.369 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.38 -7.65 59.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 2.25 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.8 p80 37.0 90.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.679 -0.691 . . . . 5.11 112.1 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -60.41 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 5.96 111.125 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.508 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -150.1 179.65 7.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.425 . . . . 0.99 110.68 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' H ' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -64.13 -46.49 83.93 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.74 0.274 . . . . 0.59 111.74 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.436 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 89.3 t -79.21 -37.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.683 0.278 . . . . 0.46 110.96 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.418 . . . . 0.71 110.286 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.596 ' HG ' HG11 ' A' ' 39' ' ' VAL . 8.2 tt -65.24 -50.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 1.69 110.013 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -27.36 66.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.204 -0.453 . . . . 3.41 109.824 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.23 -49.66 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 2.08 109.941 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -57.78 -29.18 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.707 -0.678 . . . . 3.01 109.88 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.404 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.6 t-105 -73.93 -48.51 30.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.572 -0.74 . . . . 0.75 110.213 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.499 ' HE3' HD13 ' A' ' 82' ' ' LEU . 27.9 ttpt -57.3 -30.89 65.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.876 -0.602 . . . . 1.68 110.662 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.5 m -83.4 -26.97 29.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 1.2 110.096 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -32.28 73.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.462 -0.79 . . . . 1.34 110.208 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.4 m -90.06 -43.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 0.56 111.295 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -60.27 -29.88 69.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.992 0.425 . . . . 1.52 110.597 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.6 t -80.7 -23.18 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.907 -0.588 . . . . 1.74 111.385 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.58 -84.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.64 111.443 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 3.49 111.017 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.96 0.409 . . . . 2.18 110.766 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.577 -0.738 . . . . 1.84 111.608 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' H ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -60.07 -36.07 76.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.661 0.267 . . . . 1.5 111.565 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.737 ' H ' HD12 ' A' ' 82' ' ' LEU . 25.5 mt -76.42 -41.37 47.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.74 111.375 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -67.47 -38.86 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 1.33 111.52 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.0 ptm85 -74.31 -36.18 63.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 2.4 111.729 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.498 HG21 ' HG3' ' A' ' 60' ' ' LYS . 25.9 t -73.42 -44.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.675 0.274 . . . . 0.55 111.312 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.23 -33.1 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.999 0.428 . . . . 1.24 110.444 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.3 -53.7 13.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 1.18 110.663 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.23 -43.7 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 0.27 111.032 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 11.1 t-160 -61.02 -55.09 36.95 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.076 0.465 . . . . 1.32 110.287 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.06 -32.87 50.33 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.34 111.651 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -63.82 -46.97 82.72 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.187 -0.301 . . . . 0.4 110.187 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -54.78 -60.1 3.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.058 0.456 . . . . 0.42 110.341 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -56.11 -40.99 74.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.568 -0.742 . . . . 0.5 111.392 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 2.24 110.761 179.848 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.6 m . . . . . 0 C--O 1.232 0.138 0 N-CA-C 110.349 -0.241 . . . . 1.54 110.349 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.16 -23.57 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 0.65 111.013 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.21 13.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 0.63 110.643 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.22 -33.78 73.84 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.08 0.467 . . . . 2.03 110.017 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 17' ' ' SER . 96.2 t -55.76 -25.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 1.1 110.605 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -52.82 -53.96 41.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.045 0.45 . . . . 2.29 110.377 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.29 82.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.606 . . . . 0.45 110.612 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.8 tp -54.4 -60.17 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.843 -0.617 . . . . 0.63 110.732 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 28' ' ' VAL . 31.8 m -61.81 -26.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 2.08 110.833 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -68.07 -23.49 64.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 2.43 109.742 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.22 -29.43 20.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.464 -0.789 . . . . 0.56 111.263 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 25' ' ' VAL . 4.0 m -85.75 -19.35 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 112.343 0.497 . . . . 0.44 112.343 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.27 -10.18 14.86 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.081 -0.248 . . . . 1.13 111.589 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -107.5 -40.42 5.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.937 0.347 . . . . 1.48 111.937 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -122.55 29.49 6.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.824 0.345 . . . . 0.81 111.678 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.77 -170.98 45.16 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.773 -0.727 . . . . 0.33 112.772 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.553 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 47.7 m -146.36 -33.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.633 0.254 . . . . 1.33 111.311 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.95 26.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.702 -0.761 . . . . 0.65 112.717 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 41.18 27.5 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.77 0.428 . . . . 4.26 111.813 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.553 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 42.9 p-90 -73.57 -43.09 60.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 4.61 111.01 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.16 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.16 0.505 . . . . 3.3 110.158 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.8 m-20 -66.6 -56.53 10.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.651 -0.704 . . . . 0.78 110.972 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -57.36 -29.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 2.01 111.417 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -69.63 -49.37 54.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.479 -0.328 . . . . 3.34 111.66 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.18 25.58 11.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.841 0.311 . . . . 2.44 111.841 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 21' ' ' VAL . 48.3 t -52.75 -47.17 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 1.36 109.862 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.13 27.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.242 -0.89 . . . . 1.0 110.775 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 66.08 13.05 8.9 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.256 -1.016 . . . . 3.34 108.256 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -85.82 -48.76 8.47 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.646 -1.161 . . . . 2.12 111.121 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.81 26.34 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 1.46 110.818 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -15.72 59.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 1.56 110.994 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.03 -7.19 36.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 2.25 110.789 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 62.97 105.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.854 -0.612 . . . . 5.11 111.16 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 7.1 tpm_? -83.48 -67.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 5.96 110.961 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 14.3 m -156.3 154.03 30.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.99 110.612 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.447 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -62.18 -45.48 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.043 0.386 . . . . 0.59 112.043 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.5 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 89.9 t -78.06 -33.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.081 -0.248 . . . . 0.46 111.276 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -67.88 -44.99 75.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.018 0.437 . . . . 0.71 110.447 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 55' ' ' LEU . 2.3 tm? -64.85 -53.62 43.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 1.69 109.969 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -56.62 -28.5 60.61 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.573 -0.529 . . . . 3.41 109.573 179.266 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 14.4 t70 -63.71 -44.39 93.78 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.415 -0.587 . . . . 2.08 109.415 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -59.15 -32.42 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.53 -0.759 . . . . 3.01 110.07 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.418 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -82.64 -30.76 29.15 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.85 -0.613 . . . . 0.75 109.904 179.247 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.446 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -68.36 -38.06 81.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.326 -0.852 . . . . 1.68 110.157 179.25 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.9 t -82.69 -26.85 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.599 -0.728 . . . . 1.2 109.328 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -59.65 -44.35 93.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.108 -0.951 . . . . 1.34 109.143 178.547 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.456 ' N ' HD13 ' A' ' 62' ' ' LEU . 17.4 m -80.16 -44.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 0.56 110.783 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.501 ' HB2' HD13 ' A' ' 82' ' ' LEU . 2.0 t60 -54.61 -34.46 62.08 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.159 -0.473 . . . . 1.52 111.143 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.6 m -90.79 -17.24 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 1.74 111.263 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.62 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.64 111.504 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.496 -0.32 . . . . 3.49 111.205 -179.849 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 121.019 0.438 . . . . 2.18 110.721 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -51.47 -37.48 49.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 1.84 111.909 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -66.35 -57.6 7.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.582 -0.281 . . . . 1.5 111.171 -179.281 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.64 -33.27 69.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 0.74 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.1 -52.13 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 1.33 111.024 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 85' ' ' ARG . 11.3 ptp180 -68.87 -19.74 64.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 2.4 111.189 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 82' ' ' LEU . 41.7 t -70.38 -62.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.347 -0.388 . . . . 0.55 110.924 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.17 -19.45 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 1.24 110.779 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -77.23 -54.4 6.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 1.18 110.399 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 0.27 110.955 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -61.66 -55.63 28.44 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.127 0.489 . . . . 1.32 110.181 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.3 -29.45 63.11 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.697 -0.763 . . . . 0.34 111.645 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -64.62 -47.39 78.75 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 110.396 -0.224 . . . . 0.4 110.396 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 16.5 m0 -57.41 -57.5 12.39 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.249 0.547 . . . . 0.42 109.944 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -55.12 -36.45 65.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.375 -0.829 . . . . 0.5 111.155 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 2.24 110.79 179.801 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p . . . . . 0 C--O 1.231 0.112 0 N-CA-C 110.217 -0.29 . . . . 1.54 110.217 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.92 -33.23 15.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.871 0.367 . . . . 0.65 110.73 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.17 84.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 0.63 110.524 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.38 -36.46 81.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.029 -0.532 . . . . 2.03 109.983 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.1 t -54.17 -34.34 26.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.808 -0.633 . . . . 1.1 110.496 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 39.7 tt0 -48.58 -56.13 9.25 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.107 0.48 . . . . 2.29 110.244 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.72 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.45 109.881 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.58 -28.94 66.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.584 -0.735 . . . . 0.63 110.111 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.534 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.8 t -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 2.08 110.213 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -65.21 -23.24 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 2.43 110.203 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.69 -37.09 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 0.56 112.231 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 25' ' ' VAL . 31.1 m -85.75 -18.18 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.642 0.608 . . . . 0.44 112.642 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.09 -10.36 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.894 0.331 . . . . 1.13 111.894 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.575 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.0 ptpt -107.35 -47.78 3.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.891 0.33 . . . . 1.48 111.891 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.8 pp -114.27 31.98 6.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 0.81 111.62 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.17 -175.86 43.23 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.721 -0.752 . . . . 0.33 112.681 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.546 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 59.7 m -151.32 -43.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 1.33 110.918 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.88 20.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.807 -0.711 . . . . 0.65 112.411 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 59' ' ' TRP . 1.4 ptm180 45.0 21.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 122.821 0.448 . . . . 4.26 111.575 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.546 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 11.4 p-90 -58.35 -45.24 88.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 4.61 110.852 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 16.0 ptm180 -65.26 -28.81 69.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 3.3 110.519 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.56 -60.18 3.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.78 110.724 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG11 HD13 ' A' ' 55' ' ' LEU . 19.0 m -57.46 -26.96 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 2.01 110.721 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 88.9 mttt -64.54 -52.5 57.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 3.34 111.167 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.0 24.69 12.11 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.803 0.297 . . . . 2.44 111.803 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.87 -46.06 78.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 1.36 110.296 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -177.03 24.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 1.0 111.153 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.416 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER 72.2 4.95 5.18 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.457 -0.942 . . . . 3.34 108.457 -179.457 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -81.35 -54.4 5.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.705 -1.134 . . . . 2.12 111.496 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -101.45 25.5 8.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 1.46 110.782 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.44 -3.71 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 1.56 111.32 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.25 -5.55 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 2.25 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 62.97 114.22 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.068 -0.514 . . . . 5.11 111.169 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.21 -69.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 5.96 111.223 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -158.14 155.94 30.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.99 110.352 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.449 ' HD1' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -58.84 -47.54 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.769 0.285 . . . . 0.59 111.769 -179.412 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.424 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 78.4 t -77.32 -43.04 31.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.054 -0.259 . . . . 0.46 111.012 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.52 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.3 m-20 -57.74 -51.49 69.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.71 110.383 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.585 HD13 HG11 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -61.63 -34.98 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 1.69 109.236 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HD3' HG11 ' A' ' 86' ' ' VAL . 6.0 tmmm? -67.29 -29.81 69.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.734 -0.666 . . . . 3.41 109.963 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -68.27 -46.2 71.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.194 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.52 -30.75 70.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.13 0.49 . . . . 3.01 109.713 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.524 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -71.25 -45.6 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.771 . . . . 0.75 110.0 179.234 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.588 ' HD2' ' HG ' ' A' ' 83' ' ' LEU . 1.5 ttpm? -56.18 -33.59 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.676 -0.693 . . . . 1.68 110.385 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.7 m -85.11 -28.03 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.778 -0.646 . . . . 1.2 109.626 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.524 ' HB3' ' HA ' ' A' ' 59' ' ' TRP . 4.7 tp -64.01 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.031 -0.986 . . . . 1.34 110.145 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -90.16 -43.66 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 0.56 110.658 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.477 ' HB2' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -57.96 -33.93 69.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 1.52 110.801 179.292 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.8 t -74.04 -21.93 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 1.74 111.535 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.94 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.64 111.303 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 3.49 111.135 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.833 0.349 . . . . 2.18 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -50.77 -38.97 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 1.84 111.726 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -68.57 -58.68 3.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.489 -0.323 . . . . 1.5 110.954 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.588 ' HG ' ' HD2' ' A' ' 60' ' ' LYS . 25.6 mt -56.31 -25.81 49.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.74 110.869 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -72.12 -49.66 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 1.33 110.836 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.43 -19.99 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 2.4 111.131 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 82' ' ' LEU . 46.9 t -76.46 -57.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.55 110.97 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.19 -26.95 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 1.24 110.595 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -75.46 -56.69 4.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 1.18 110.766 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.33 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.27 111.16 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -59.18 -55.39 35.56 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.178 0.513 . . . . 1.32 110.407 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.12 -31.53 59.08 Favored Glycine 0 C--O 1.225 -0.46 0 CA-C-N 115.491 -0.777 . . . . 0.34 111.796 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.06 -40.28 87.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.705 0.288 . . . . 0.4 110.232 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.526 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 41.1 m0 -58.72 -54.5 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.382 . . . . 0.42 110.426 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -68.06 -48.57 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.5 112.133 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.398 . . . . 2.24 112.007 -179.099 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.736 0.303 . . . . 10.3 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 58.65 18.72 6.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.499 . . . . 10.1 111.079 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -73.48 125.33 27.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 7.28 110.929 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.7 mm -100.22 131.04 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 6.21 110.919 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -66.86 103.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 6.48 110.823 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -139.04 87.71 13.87 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 6.47 110.885 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.34 -30.98 9.69 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.395 2.063 . . . . 2.39 112.312 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -128.45 167.37 17.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 2.2 110.994 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.8 p -162.09 179.68 7.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.944 -0.571 . . . . 1.35 110.578 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -51.84 -32.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.388 . . . . 0.44 110.948 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.64 75.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.116 -0.493 . . . . 0.37 110.513 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.08 -35.38 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.809 -0.632 . . . . 2.51 110.19 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 25' ' ' VAL . 94.3 t -55.38 -34.45 34.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.88 -0.6 . . . . 0.42 110.596 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -48.69 -58.38 4.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.23 -0.441 . . . . 2.37 110.321 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.1 78.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.35 109.909 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.58 -29.8 68.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 0.54 110.251 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 21' ' ' VAL . 75.4 t -70.13 -42.38 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 116.149 -0.478 . . . . 1.22 110.24 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -65.78 -22.25 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 1.65 110.671 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.79 -37.61 16.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 0.44 112.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.46 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.7 m -85.69 -18.04 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 112.773 0.657 . . . . 0.33 112.773 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.38 -10.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.959 0.355 . . . . 0.73 111.959 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 57.7 pttt -106.54 -47.75 3.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.711 0.263 . . . . 1.78 111.711 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -111.26 32.35 5.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.99 111.34 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.7 168.79 42.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.834 -0.698 . . . . 0.31 112.734 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.8 p -143.14 -36.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 1.39 111.022 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.95 28.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.759 -0.734 . . . . 0.48 112.591 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.604 HH12 ' HZ1' ' A' ' 56' ' ' LYS . 11.7 ptp85 42.94 30.46 0.25 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.719 0.408 . . . . 4.45 111.711 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -63.78 -45.46 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.119 0.485 . . . . 3.87 110.378 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -71.5 -31.19 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.609 . . . . 3.51 110.685 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.1 -51.48 45.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.19 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.504 HG23 HD13 ' A' ' 55' ' ' LEU . 8.7 p -63.09 -31.97 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 1.61 111.213 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -67.98 -45.32 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 2.16 111.562 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.16 25.13 11.63 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.874 0.324 . . . . 1.94 111.874 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.2 t -54.43 -46.2 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.02 109.882 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.87 27.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.133 -0.939 . . . . 0.84 110.637 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.94 13.02 8.82 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 108.204 -1.036 . . . . 3.45 108.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.98 -54.03 4.74 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.517 -1.22 . . . . 2.1 111.447 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.14 27.25 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.83 110.9 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.71 -6.31 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.98 111.246 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -108.88 -5.5 16.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.375 . . . . 2.33 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 61.5 m80 63.32 111.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.066 -0.515 . . . . 3.59 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -94.46 -69.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 5.44 111.135 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 10.7 m -150.66 153.03 34.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 1.01 110.823 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.021 0.378 . . . . 0.57 112.021 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 99.0 t -78.19 -35.7 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.869 -0.332 . . . . 0.4 110.999 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 0.9 OUTLIER -56.77 -53.38 58.42 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.643 -0.503 . . . . 0.65 109.643 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 39' ' ' VAL . 15.8 tp -62.8 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 1.81 109.4 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HZ1' HH12 ' A' ' 35' ' ' ARG . 16.6 tppt? -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.446 -0.797 . . . . 2.86 110.348 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.8 -44.66 55.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.977 -0.556 . . . . 2.04 110.37 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.3 -29.03 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.551 -0.75 . . . . 2.38 111.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.472 ' CZ3' HG22 ' A' ' 25' ' ' VAL . 3.5 t-105 -80.17 -51.93 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.57 110.059 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.4 ttpm? -54.64 -33.39 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 1.06 111.081 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.4 t -82.44 -30.42 30.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.96 0.41 . . . . 0.97 110.337 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -33.37 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.682 -0.69 . . . . 1.27 110.236 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.8 m -90.17 -41.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 0.47 111.12 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -61.75 -29.33 70.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.897 0.379 . . . . 1.24 110.578 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.2 t -81.15 -17.24 50.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 1.18 111.434 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.19 -87.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.259 -0.428 . . . . 0.84 111.386 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -148.22 22.56 1.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.48 -0.327 . . . . 3.29 111.245 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.63 -25.27 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.799 0.333 . . . . 1.01 110.719 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.0 m 51.02 72.78 1.12 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 1.82 111.147 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.15 2.15 8.27 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.502 2.135 . . . . 1.61 112.421 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.568 ' HG3' ' H ' ' A' ' 73' ' ' ARG . 19.0 pt20 -87.64 -25.86 23.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 4.66 110.921 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 59.75 15.01 4.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 6.4 111.204 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.568 ' H ' ' HG3' ' A' ' 71' ' ' GLN . 71.6 ttt180 62.09 10.81 3.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.262 -0.427 . . . . 6.51 111.006 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -107.91 -53.95 2.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 8.11 110.945 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.1 -143.27 5.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.807 -0.711 . . . . 4.13 112.378 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.16 72.96 78.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.614 0.245 . . . . 6.42 110.879 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.01 -87.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.441 2.094 . . . . 2.76 112.321 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.93 99.57 4.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 2.36 111.14 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HB2' HD21 ' A' ' 82' ' ' LEU . 58.3 Cg_endo -71.98 81.09 1.44 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.302 2.001 . . . . 1.56 112.404 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -96.73 -27.24 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.987 -0.551 . . . . 3.3 110.87 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -51.15 -47.9 61.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 2.78 111.604 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -57.71 -29.99 65.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.633 -0.258 . . . . 1.25 111.524 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 82' ' ' LEU . 27.6 mt -79.65 -39.14 32.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.943 0.401 . . . . 0.57 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 7.0 t30 -69.37 -35.49 75.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.023 -0.535 . . . . 1.44 111.213 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 85' ' ' ARG . 13.8 ptm180 -78.74 -34.95 45.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 2.17 111.764 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 60' ' ' LYS . 13.3 p -68.94 -45.88 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.91 -0.316 . . . . 0.77 111.083 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.448 ' N ' HG13 ' A' ' 86' ' ' VAL . 7.0 mp -70.35 -33.2 71.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 1.21 110.845 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 40.8 t-20 -69.61 -43.89 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 1.17 110.098 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.74 -57.53 12.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 0.31 111.288 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -59.16 -55.09 39.39 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.976 0.417 . . . . 0.64 110.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -52.77 -33.59 42.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.872 -0.68 . . . . 0.31 111.962 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 96' ' ' GLN . 11.6 t80 -65.39 -48.42 72.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.67 -0.122 . . . . 0.34 110.67 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.05 -60.63 2.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 0.32 110.371 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.5 p -57.77 -48.29 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.529 -0.76 . . . . 0.53 111.498 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -70.59 -11.63 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 1.95 111.025 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 92' ' ' TYR . 7.6 tp60 -82.9 -32.32 27.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 3.18 110.215 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 61.77 33.91 17.58 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.739 -0.664 . . . . 2.2 110.611 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.421 ' C ' ' H ' ' A' ' 100' ' ' GLN . 63.7 mtt 63.89 3.06 1.51 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.834 -0.621 . . . . 2.39 111.238 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' A' ' 98' ' ' MET . 53.5 tt0 72.66 -34.73 0.3 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.164 -0.471 . . . . 4.42 111.722 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' A' ' 98' ' ' MET . 49.3 mt-30 -144.83 19.62 1.64 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.751 0.31 . . . . 4.74 110.796 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 101' ' ' LEU . 7.1 mp 60.01 18.38 7.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.205 -0.452 . . . . 5.61 110.961 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' HG2' ' H ' ' A' ' 104' ' ' ASN . 63.9 tt0 -136.99 157.55 46.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.086 -0.506 . . . . 7.84 110.665 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.1 pm0 -79.48 3.83 17.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 8.28 110.984 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.456 ' H ' ' HG2' ' A' ' 102' ' ' GLN . 7.8 t30 -86.04 80.99 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 6.74 110.662 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.563 -0.732 . . . . 4.85 111.295 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.821 0.343 . . . . 10.3 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -83.43 -22.96 32.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.478 . . . . 10.1 110.882 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -94.2 110.38 22.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 7.28 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.9 mt -102.52 139.91 22.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 6.21 111.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -84.48 114.02 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.141 0.496 . . . . 6.48 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -94.38 149.93 37.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.712 -0.677 . . . . 6.47 110.899 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.68 -63.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.403 2.069 . . . . 2.39 112.433 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -133.55 174.83 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 2.2 111.169 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p -154.76 162.65 41.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.945 -0.571 . . . . 1.35 110.648 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -50.26 -34.69 11.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.319 -0.4 . . . . 0.44 111.149 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.79 82.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.37 111.002 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.1 -34.75 73.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.049 -0.523 . . . . 2.51 110.296 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 25' ' ' VAL . 97.4 t -54.83 -35.4 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.928 -0.578 . . . . 0.42 110.596 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.1 tm-20 -49.49 -56.89 8.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.172 -0.467 . . . . 2.37 110.383 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.73 81.73 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.229 0.538 . . . . 0.35 110.063 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.78 -30.21 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.438 -0.801 . . . . 0.54 110.25 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.502 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.7 t -69.05 -44.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 1.22 110.463 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -63.66 -22.38 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 1.65 110.556 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.2 -37.98 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.575 . . . . 0.44 112.171 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 30.7 m -85.61 -17.79 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.841 0.682 . . . . 0.33 112.841 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.37 -10.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.807 0.299 . . . . 0.73 111.807 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.2 pttt -107.04 -46.65 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.823 0.305 . . . . 1.78 111.823 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.583 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -116.14 33.85 5.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.895 0.379 . . . . 0.99 111.511 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.59 179.79 51.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.31 112.705 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.473 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 9.2 p -145.83 -41.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 1.39 110.985 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.07 26.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.868 -0.682 . . . . 0.48 112.402 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.515 HH11 HD12 ' A' ' 55' ' ' LEU . 3.5 ptm180 44.66 28.0 0.3 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.725 0.41 . . . . 4.45 111.694 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -54.28 -42.59 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.051 0.453 . . . . 3.87 110.6 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -69.74 -29.37 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 3.51 110.553 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.3 m-20 -68.64 -55.9 9.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 2.19 110.394 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.573 ' HB ' HD13 ' A' ' 55' ' ' LEU . 11.6 p -59.78 -26.44 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.327 -0.397 . . . . 1.61 110.693 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HB3' HD22 ' A' ' 41' ' ' LEU . 50.7 mmtt -67.89 -53.15 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 2.16 111.38 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 40' ' ' LYS . 3.9 mm? -113.03 25.82 11.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.353 -0.385 . . . . 1.94 111.843 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' ASP . 51.8 t -49.94 -45.68 51.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.479 . . . . 1.02 110.161 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.68 26.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.257 -0.883 . . . . 0.84 111.089 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 t80 67.89 10.53 7.86 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.069 -1.086 . . . . 3.45 108.069 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.57 -49.06 8.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.523 -1.217 . . . . 2.1 111.213 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -107.9 25.29 11.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.83 110.929 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.22 -6.62 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.98 111.222 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.33 -4.14 16.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.256 -0.429 . . . . 2.33 110.854 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.6 m80 63.44 112.84 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.957 -0.565 . . . . 3.59 111.214 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -93.35 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 5.44 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.0 m -158.88 155.3 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.01 110.466 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -60.89 -46.67 89.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.151 -0.22 . . . . 0.57 111.56 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.417 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 42.7 t -76.41 -42.61 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 121.107 -0.237 . . . . 0.4 111.001 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -57.32 -53.75 54.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.844 0.354 . . . . 0.65 110.353 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.573 HD13 ' HB ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -59.38 -35.44 73.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.26 -0.644 . . . . 1.81 109.26 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.7 tppp? -67.69 -28.77 67.97 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.659 -0.7 . . . . 2.86 110.027 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 42.4 m-20 -68.26 -42.53 79.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.008 -0.542 . . . . 2.04 109.908 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.3 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.118 -0.492 . . . . 2.38 109.749 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.2 t-105 -70.83 -46.26 63.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.58 -0.736 . . . . 0.57 109.949 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -60.57 -31.64 70.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.79 -0.641 . . . . 1.06 110.421 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -85.09 -25.87 27.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.451 0.643 . . . . 0.97 109.567 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tp -63.94 -34.32 77.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.904 -1.044 . . . . 1.27 110.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 68' ' ' ILE . 21.1 m -89.33 -42.21 14.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.945 -0.571 . . . . 0.47 110.453 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.502 ' HB2' HD13 ' A' ' 82' ' ' LEU . 21.5 t60 -54.89 -38.23 67.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.523 . . . . 1.24 110.854 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -82.1 -19.36 40.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 1.18 111.36 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.33 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 0.84 111.348 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -165.42 26.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 3.29 111.202 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 63' ' ' VAL . 31.4 mm -58.54 -30.07 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 1.01 110.741 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t 47.82 67.03 4.88 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.089 -0.505 . . . . 1.82 111.217 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.32 5.79 5.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.602 2.201 . . . . 1.61 112.525 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -66.41 -39.31 88.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 4.66 111.062 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 61.12 8.96 2.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.164 -0.471 . . . . 6.4 111.444 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 62.44 118.37 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.267 -0.424 . . . . 6.51 111.423 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.14 107.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 8.11 111.272 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.86 154.97 11.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 4.13 112.708 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -163.66 105.48 0.94 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.407 0.146 . . . . 6.42 110.782 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.47 -86.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.268 1.979 . . . . 2.76 112.361 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.55 131.42 9.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 2.36 110.992 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.563 ' HB2' HD11 ' A' ' 82' ' ' LEU . 73.6 Cg_endo -75.57 86.87 1.43 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.391 2.06 . . . . 1.56 112.383 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -96.32 -25.15 15.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 3.3 111.016 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -49.45 -33.93 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.676 -0.693 . . . . 2.78 111.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -66.85 -60.15 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.344 -0.389 . . . . 1.25 111.042 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.94 -26.06 65.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.57 111.108 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -70.98 -51.05 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.44 110.966 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -71.96 -20.25 61.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 2.17 111.205 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 82' ' ' LEU . 27.6 t -76.81 -61.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.509 -0.314 . . . . 0.77 111.119 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.22 -27.19 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.532 -0.303 . . . . 1.21 110.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -73.77 -57.14 4.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 1.17 110.558 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.15 75.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 0.31 111.003 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.47 -55.12 34.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.161 0.505 . . . . 0.64 110.212 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.0 -31.32 58.57 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.654 -0.703 . . . . 0.31 111.736 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 96' ' ' GLN . 16.1 t80 -66.07 -46.4 77.86 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 110.515 -0.179 . . . . 0.34 110.515 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.473 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 22.6 m0 -55.94 -58.56 7.38 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.119 0.485 . . . . 0.32 110.019 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -56.96 -50.69 71.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.697 . . . . 0.53 111.19 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -67.03 -17.37 64.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.95 110.665 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 9.5 tt0 -75.99 -29.17 58.11 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.628 -0.508 . . . . 3.18 109.628 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 66.91 15.28 10.11 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.323 -0.853 . . . . 2.2 110.992 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 39.8 ttp 55.26 15.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 2.39 111.114 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -126.72 20.26 7.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 4.42 110.953 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 58.76 100.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 4.74 111.106 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.14 -43.44 87.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 5.61 111.027 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.86 83.17 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 7.84 110.745 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 55.31 21.96 4.5 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.099 -0.5 . . . . 8.28 111.307 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.76 79.45 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 6.74 110.792 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.349 -0.834 . . . . 4.85 111.18 179.894 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 10.3 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 4.3 mmp_? 58.58 18.44 5.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.069 -0.514 . . . . 10.1 111.188 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -93.26 108.11 19.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 7.28 110.864 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' H ' HG13 ' A' ' 12' ' ' ILE . 2.4 pp -77.22 175.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 6.21 111.303 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -143.17 -36.74 0.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 6.48 110.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 40.0 mmt180 -53.84 145.82 30.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 6.47 111.035 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 14' ' ' ARG . 36.9 Cg_exo -61.03 -53.59 2.45 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.524 2.149 . . . . 2.39 112.319 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -119.71 171.65 8.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 2.2 111.285 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.3 p -163.86 178.92 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 1.35 110.613 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -50.21 -27.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 0.44 111.274 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.69 -58.2 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.37 111.097 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.92 -35.13 77.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.51 110.708 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 17' ' ' SER . 87.5 t -55.14 -29.45 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.943 -0.571 . . . . 0.42 110.694 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.11 -57.54 10.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 2.37 110.49 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.259 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.68 -28.38 65.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.54 110.168 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' A' ' 28' ' ' VAL . 4.0 t -75.23 -39.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.758 -0.655 . . . . 1.22 110.522 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tm0? -65.37 -21.8 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 1.65 110.22 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.9 -36.72 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 0.44 112.054 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.5 m -85.68 -18.12 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 112.764 0.653 . . . . 0.33 112.764 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -9.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.956 0.354 . . . . 0.73 111.956 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -104.25 -42.03 5.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.0 0.37 . . . . 1.78 112.0 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.595 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.5 pt? -121.52 29.31 7.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.993 0.425 . . . . 0.99 111.485 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -78.3 -168.59 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.759 -0.734 . . . . 0.31 112.953 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 m -152.33 -44.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 1.39 110.846 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.13 22.54 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.951 -0.642 . . . . 0.48 112.771 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 7.0 ptm180 44.97 25.67 0.17 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 122.78 0.432 . . . . 4.45 111.737 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -57.14 -47.44 81.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 3.87 110.365 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -72.08 -28.82 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.757 -0.656 . . . . 3.51 110.879 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.3 m-20 -66.55 -59.98 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 2.19 110.462 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.531 ' HB ' ' HB2' ' A' ' 46' ' ' ASP . 35.1 m -59.14 -28.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 1.61 110.464 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -61.9 -50.42 72.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 2.16 111.056 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.25 24.28 12.45 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.564 -0.289 . . . . 1.94 111.639 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' A' ' 21' ' ' VAL . 32.9 t -57.46 -48.27 79.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.087 0.47 . . . . 1.02 110.017 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.47 29.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.253 -0.885 . . . . 0.84 110.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 65.89 20.46 11.37 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.7 -1.222 . . . . 3.45 107.7 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.26 -54.85 4.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.088 -1.415 . . . . 2.1 111.269 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 10.1 m-20 -114.94 20.48 15.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.956 -0.566 . . . . 0.83 110.693 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -5.8 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.98 111.467 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.76 -16.97 14.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.555 -0.293 . . . . 2.33 111.045 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 61.17 105.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.444 . . . . 3.59 111.001 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -85.7 -56.7 3.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 5.44 111.392 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 16.8 m -156.3 156.78 34.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.441 -0.345 . . . . 1.01 110.79 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -61.54 -44.89 96.22 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.815 -0.175 . . . . 0.57 111.426 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 51.3 t -75.98 -41.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 0.4 110.562 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m-20 -56.99 -43.02 81.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.093 0.473 . . . . 0.65 109.859 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.81 -40.46 95.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.191 -0.67 . . . . 1.81 109.191 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.471 -0.786 . . . . 2.86 109.978 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.84 -38.06 62.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.002 -0.544 . . . . 2.04 110.038 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -66.28 -33.27 75.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 2.38 109.849 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.8 t-105 -75.15 -49.13 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.739 . . . . 0.57 109.916 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HB2' HG21 ' A' ' 86' ' ' VAL . 9.3 tmtt? -59.36 -38.76 81.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.458 -0.792 . . . . 1.06 110.884 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m -75.94 -27.3 57.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.97 110.28 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD23 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -64.58 -38.94 92.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.768 -0.651 . . . . 1.27 110.199 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.403 HG13 HD23 ' A' ' 62' ' ' LEU . 17.8 m -83.4 -42.22 17.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.309 -0.405 . . . . 0.47 110.552 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.546 ' HB2' HD13 ' A' ' 82' ' ' LEU . 6.9 t60 -55.06 -40.77 70.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.039 -0.528 . . . . 1.24 110.92 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.09 -18.79 45.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 1.18 111.442 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.51 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.384 -0.371 . . . . 0.84 111.28 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -163.4 20.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 3.29 111.223 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.9 mm -60.83 -28.49 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 1.01 110.664 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . 53.4 m 45.18 59.02 14.76 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.933 -0.576 . . . . 1.82 111.54 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.575 ' HB2' ' HB3' ' A' ' 79' ' ' PRO . 74.1 Cg_endo -78.27 -48.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.521 2.147 . . . . 1.61 112.447 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -81.6 -14.51 56.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 4.66 111.045 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 18.5 mm-40 -65.67 -20.5 66.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 6.4 110.817 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 73' ' ' ARG . 4.0 mmp_? -105.54 115.35 30.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 6.51 110.889 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 74' ' ' ARG . 4.1 mmp_? -78.58 123.72 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 8.11 110.883 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.02 41.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.831 -0.7 . . . . 4.13 112.53 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 12.1 pt-20 -161.69 149.74 12.34 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.444 0.164 . . . . 6.42 110.932 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 76' ' ' GLU . 11.6 Cg_exo -71.38 -75.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.689 2.259 . . . . 2.76 112.152 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.2 m -127.77 151.01 74.81 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 2.36 111.141 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.575 ' HB3' ' HB2' ' A' ' 70' ' ' PRO . 60.6 Cg_endo -72.15 100.14 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.481 2.12 . . . . 1.56 112.329 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -96.22 -25.91 15.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.045 -0.525 . . . . 3.3 111.152 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -50.29 -38.16 39.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 2.78 111.765 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -66.81 -60.05 3.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.414 -0.357 . . . . 1.25 110.998 -179.462 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.16 -24.53 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.57 111.011 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.54 -51.04 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 1.44 110.829 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.75 -20.03 61.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 2.17 111.065 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' LEU . 42.5 t -74.98 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.77 111.095 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.46 -25.88 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 1.21 110.872 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.73 -51.61 18.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.976 0.417 . . . . 1.17 110.512 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.35 82.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.79 -0.641 . . . . 0.31 111.263 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.441 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 49.9 t60 -60.06 -55.64 31.5 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.033 0.444 . . . . 0.64 110.421 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.55 -33.17 62.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.736 -0.745 . . . . 0.31 111.737 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.05 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 0.34 110.727 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.441 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 20.0 m0 -59.87 -58.56 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.074 0.464 . . . . 0.32 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -63.81 -34.13 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.663 -0.699 . . . . 0.53 112.815 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -85.3 -63.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.021 0.378 . . . . 1.95 112.021 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.625 ' HG3' ' HA ' ' A' ' 99' ' ' GLN . 51.4 tp60 -59.6 -15.65 20.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.548 -0.296 . . . . 3.18 111.225 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 60.06 58.62 2.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 2.2 111.378 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.444 ' O ' ' HB3' ' A' ' 99' ' ' GLN . 2.2 mpt? 53.27 22.51 2.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 2.39 111.263 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.625 ' HA ' ' HG3' ' A' ' 96' ' ' GLN . 28.3 tt0 75.11 -43.11 0.5 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.551 0.532 . . . . 4.42 111.273 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -150.23 150.74 31.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.785 0.326 . . . . 4.74 110.869 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' HG ' ' H ' ' A' ' 101' ' ' LEU . 2.5 pp -81.86 -6.05 58.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 5.61 110.946 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.533 ' HG2' ' HG3' ' A' ' 103' ' ' GLN . 29.4 tt0 -136.0 136.88 40.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.043 -0.526 . . . . 7.84 110.668 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.533 ' HG3' ' HG2' ' A' ' 102' ' ' GLN . 97.8 mt-30 57.28 88.02 0.06 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.122 -0.49 . . . . 8.28 111.056 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -93.59 73.29 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 6.74 110.421 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.335 -0.84 . . . . 4.85 111.154 179.635 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.738 0.304 . . . . 10.3 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.73 -59.02 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 10.1 110.903 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -84.0 117.19 23.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 7.28 110.787 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.9 tp -140.52 145.3 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 6.21 110.976 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.497 ' HG2' ' HG3' ' A' ' 14' ' ' ARG . 58.8 ttp180 -84.71 -77.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 6.48 110.992 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 86.1 mtm180 -140.67 88.04 11.05 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 6.47 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -83.69 130.84 5.24 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.628 2.219 . . . . 2.39 112.524 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -104.43 128.07 52.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 2.2 110.936 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.4 t -131.34 176.96 7.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 1.35 110.714 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.06 -25.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.44 111.145 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.88 -57.98 10.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.128 -0.487 . . . . 0.37 110.807 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.47 -35.6 80.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 2.51 110.258 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 17' ' ' SER . 70.2 t -57.17 -25.52 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.847 -0.615 . . . . 0.42 110.878 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.41 -53.83 51.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.059 0.457 . . . . 2.37 110.554 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.894 -0.594 . . . . 0.35 110.612 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.4 tp -55.53 -52.57 63.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.54 110.978 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.67 ' HA ' HG22 ' A' ' 28' ' ' VAL . 33.8 m -65.76 -28.62 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 1.22 110.853 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -68.48 -22.03 64.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.199 0.523 . . . . 1.65 109.881 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.35 -32.7 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.685 -0.689 . . . . 0.44 111.696 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 25' ' ' VAL . 13.0 m -85.99 -18.57 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 112.767 0.655 . . . . 0.33 112.767 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.53 -10.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.978 0.362 . . . . 0.73 111.978 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.611 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 55.6 pttt -100.83 -42.77 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.936 0.347 . . . . 1.78 111.936 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -124.86 31.97 5.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 0.99 111.587 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -80.55 -165.45 32.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.827 -0.701 . . . . 0.31 112.734 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.451 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.3 m -149.79 -44.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.651 0.262 . . . . 1.39 111.03 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' HA2' HH21 ' A' ' 35' ' ' ARG . . . -162.71 17.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.585 -0.817 . . . . 0.48 112.773 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 HH21 ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 47.51 17.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.982 0.42 . . . . 4.45 111.574 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -58.29 -47.21 84.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 3.87 111.336 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -62.98 -34.04 76.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 3.51 111.236 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.42 -61.26 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 2.19 110.905 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG12 ' HB2' ' A' ' 46' ' ' ASP . 18.9 t -58.35 -26.15 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 1.61 111.077 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB3' HD12 ' A' ' 41' ' ' LEU . 81.8 mttt -67.3 -45.75 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 2.16 110.77 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 40' ' ' LYS . 7.6 mp -112.28 24.89 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 1.94 111.078 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.9 t -55.91 -45.51 78.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 1.02 110.398 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -178.13 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 0.84 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 66.17 14.8 9.82 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.456 -0.942 . . . . 3.45 108.456 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.31 -44.84 12.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.716 -1.129 . . . . 2.1 111.199 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' HB2' HG12 ' A' ' 39' ' ' VAL . 10.2 m-20 -119.74 26.42 9.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.83 110.817 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.0 0.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.98 111.54 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.09 -9.1 12.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.516 -0.311 . . . . 2.33 110.981 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m80 63.6 113.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.095 -0.502 . . . . 3.59 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.482 ' HE ' ' HB3' ' A' ' 54' ' ' ASP . 57.6 ttp180 -90.84 -57.75 2.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 5.44 111.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 12.2 m -157.24 158.82 36.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.516 -0.311 . . . . 1.01 110.624 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -62.76 -46.62 87.18 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 111.576 0.213 . . . . 0.57 111.576 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.451 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 59.6 t -76.86 -40.95 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.997 -0.281 . . . . 0.4 110.648 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' HE ' ' A' ' 50' ' ' ARG . 1.4 m-20 -56.94 -44.94 83.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.042 0.449 . . . . 0.65 109.836 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HG ' HG11 ' A' ' 39' ' ' VAL . 6.9 tt -64.62 -36.25 83.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.024 -0.732 . . . . 1.81 109.024 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -68.04 -26.32 65.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.352 -0.84 . . . . 2.86 110.066 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -73.77 -38.9 64.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.917 -0.583 . . . . 2.04 110.463 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -65.84 -34.39 78.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 2.38 110.175 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 2.1 t-105 -74.84 -50.46 17.02 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.823 -0.626 . . . . 0.57 110.018 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' HG3' HD23 ' A' ' 83' ' ' LEU . 10.3 tmtt? -57.01 -40.91 77.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.744 -0.662 . . . . 1.06 110.971 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.5 m -72.28 -30.96 65.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.021 -0.536 . . . . 0.97 111.297 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD21 HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.93 -31.23 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 1.27 110.86 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -89.19 -40.93 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 0.47 111.12 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.481 ' HB2' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -63.18 -33.35 75.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.334 . . . . 1.24 110.287 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.5 t -79.38 -17.54 54.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.18 111.369 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.84 111.248 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -160.97 19.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 3.29 111.339 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.469 HD11 ' NH1' ' A' ' 85' ' ' ARG . 48.7 mm -61.74 -27.46 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.404 -0.362 . . . . 1.01 110.635 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . 51.3 m 46.93 69.17 2.84 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.877 -0.602 . . . . 1.82 111.251 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 -28.5 8.48 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.751 2.301 . . . . 1.61 112.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.0 -27.64 12.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 4.66 110.879 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 78.4 mt-30 -85.2 19.53 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 6.4 111.363 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -134.48 99.41 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 6.51 111.08 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 60.16 8.14 1.43 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 8.11 111.531 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 53.09 62.44 5.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.848 -0.691 . . . . 4.13 112.663 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -73.32 151.24 89.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.424 0.154 . . . . 6.42 110.906 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.59 -87.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.285 1.99 . . . . 2.76 112.359 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.4 m -92.96 115.92 65.7 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.283 -0.417 . . . . 2.36 110.995 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.5 ' HB2' HD11 ' A' ' 82' ' ' LEU . 71.9 Cg_endo -76.93 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.242 1.961 . . . . 1.56 112.535 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.451 ' CD ' ' H ' ' A' ' 80' ' ' GLN . 5.6 pm0 -96.26 -35.64 11.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 3.3 110.818 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -42.23 -37.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.208 -0.906 . . . . 2.78 112.351 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -68.06 -59.81 2.97 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.686 0.279 . . . . 1.25 110.958 -179.435 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.444 HD23 ' HG3' ' A' ' 60' ' ' LYS . 56.6 mt -59.38 -24.56 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 0.57 111.004 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -71.33 -50.21 34.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 1.44 110.881 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.469 ' NH1' HD11 ' A' ' 68' ' ' ILE . 5.1 ptm180 -71.35 -19.9 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 2.17 110.818 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 82' ' ' LEU . 49.3 t -75.67 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.77 111.111 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.02 -25.34 66.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.41 -0.359 . . . . 1.21 110.668 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -72.15 -48.93 39.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 1.17 110.228 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.77 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 0.31 110.876 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 69.0 t60 -61.96 -55.67 27.04 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.061 0.458 . . . . 0.64 110.341 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.04 59.33 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.714 -0.755 . . . . 0.31 111.706 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.1 t80 -65.73 -49.87 66.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.656 -0.128 . . . . 0.34 110.656 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 9.5 m0 -56.95 -56.51 20.73 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.226 0.536 . . . . 0.32 110.099 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.4 p -55.44 -41.02 72.29 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.586 -0.733 . . . . 0.53 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.89 -9.36 59.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 1.95 110.457 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' TYR . 7.1 tt0 -78.96 -29.23 43.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 3.18 109.865 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 66.24 29.04 9.83 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.465 -0.789 . . . . 2.2 110.669 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.8 ttt 56.37 63.32 2.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.817 -0.628 . . . . 2.39 110.751 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.456 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 36.0 tt0 51.6 78.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.0 -0.546 . . . . 4.42 111.046 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -132.56 -35.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 4.74 110.828 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.6 tp -106.41 -34.97 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 5.61 110.852 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -136.62 143.45 43.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 7.84 110.885 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -137.69 -2.99 1.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 8.28 110.991 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.83 79.92 4.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 6.74 110.805 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.401 ' OXT' HG13 ' A' ' 105' ' ' VAL . 2.8 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.091 -0.956 . . . . 4.85 111.125 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.724 0.297 . . . . 10.3 110.954 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -144.77 27.83 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 10.1 111.048 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -55.43 129.09 37.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 7.28 110.941 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.1 mm -76.13 144.92 11.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.105 -0.498 . . . . 6.21 110.982 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.569 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -73.88 -160.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 6.48 110.545 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.614 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . 47.2 ttp180 -145.57 -51.54 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.467 -0.333 . . . . 6.47 111.701 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 14' ' ' ARG . 70.7 Cg_exo -51.46 -60.04 0.93 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.147 1.898 . . . . 2.39 112.496 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -133.44 147.04 51.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 2.2 111.275 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.2 p -143.85 174.3 10.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 1.35 110.507 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.17 -29.65 12.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.917 0.389 . . . . 0.44 111.191 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -50.93 72.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.464 . . . . 0.37 110.906 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.38 -35.66 78.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 2.51 110.381 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 17' ' ' SER . 93.9 t -55.99 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.42 110.613 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.3 tm-20 -51.36 -55.34 19.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.231 -0.44 . . . . 2.37 110.494 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.43 99.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.143 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.14 -25.41 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.709 -0.678 . . . . 0.54 110.138 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.517 HG13 ' CH2' ' A' ' 59' ' ' TRP . 10.6 t -76.88 -39.94 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 1.22 110.59 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -66.41 -21.51 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 1.65 110.346 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.85 -37.81 16.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 0.44 112.05 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.64 -17.96 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 112.857 0.688 . . . . 0.33 112.857 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.34 -10.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.913 0.338 . . . . 0.73 111.913 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -107.41 -46.76 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.866 0.321 . . . . 1.78 111.866 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -113.44 32.36 5.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.759 0.314 . . . . 0.99 111.444 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.8 -172.39 48.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.31 112.702 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.5 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 11.8 p -143.87 -42.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 1.39 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.08 24.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.008 -0.615 . . . . 0.48 112.438 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 5.5 ptm180 45.36 27.4 0.36 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.714 0.405 . . . . 4.45 111.572 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -56.48 -45.92 80.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.133 0.492 . . . . 3.87 110.479 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.445 HH21 HG12 ' A' ' 28' ' ' VAL . 24.8 ptt180 -71.76 -33.38 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 3.51 110.998 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.5 m-20 -65.97 -56.53 11.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 2.19 110.653 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 55' ' ' LEU . 13.0 p -58.74 -31.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 1.61 111.072 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HD3' ' NE2' ' A' ' 49' ' ' HIS . 21.2 mmmt -65.29 -45.69 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 2.16 111.34 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 40' ' ' LYS . 3.7 mm? -112.59 25.18 11.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.482 -0.327 . . . . 1.94 111.425 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.37 -45.18 80.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 1.02 110.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 45' ' ' GLU . . . -179.45 25.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.641 -0.709 . . . . 0.84 111.207 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 t80 67.59 14.37 9.53 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.186 -1.042 . . . . 3.45 108.186 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 15.8 mm-40 -85.03 -51.18 6.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.558 -1.201 . . . . 2.1 110.975 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.88 29.91 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.996 0.426 . . . . 0.83 110.637 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -1.68 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 0.98 111.705 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -118.31 5.14 11.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.64 -0.255 . . . . 2.33 111.036 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' NE2' ' HD3' ' A' ' 40' ' ' LYS . 77.3 m-70 63.17 118.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.125 -0.489 . . . . 3.59 111.12 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -101.97 -68.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 5.44 111.321 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -156.24 158.62 37.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.298 -0.41 . . . . 1.01 110.55 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -64.23 -46.68 82.73 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.576 0.213 . . . . 0.57 111.576 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 57.4 t -73.6 -38.38 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.968 -0.293 . . . . 0.4 110.518 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -62.28 -43.11 99.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.65 109.726 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.87 -38.83 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.551 -0.75 . . . . 1.81 109.244 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 59' ' ' TRP . 39.2 mmtt -79.81 -14.02 58.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.64 -0.709 . . . . 2.86 110.365 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.6 -43.03 70.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.825 -0.806 . . . . 2.04 108.825 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -78.66 -28.06 45.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.017 -0.992 . . . . 2.38 110.581 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.517 ' CH2' HG13 ' A' ' 25' ' ' VAL . 2.6 t-105 -73.97 -53.43 10.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.107 0.48 . . . . 0.57 109.725 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -58.64 -39.26 80.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.06 110.73 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.9 m -72.16 -30.28 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.127 0.489 . . . . 0.97 110.432 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -65.21 -35.41 80.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.634 -0.712 . . . . 1.27 110.701 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.511 HG13 HD23 ' A' ' 62' ' ' LEU . 17.8 m -88.74 -37.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.478 -0.328 . . . . 0.47 111.075 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.51 ' HA ' HG13 ' A' ' 68' ' ' ILE . 51.3 t60 -63.22 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.24 111.014 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -85.24 -17.04 38.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 1.18 111.146 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.91 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.84 111.504 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -148.7 20.22 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.51 -0.314 . . . . 3.29 111.267 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.51 HG13 ' HA ' ' A' ' 64' ' ' HIS . 44.4 mm -57.42 -29.33 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 1.01 110.74 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m 48.1 77.64 0.45 Allowed Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 115.99 -0.55 . . . . 1.82 111.375 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -71.91 -13.44 29.15 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.671 2.247 . . . . 1.61 112.228 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -85.74 -39.54 17.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 4.66 111.201 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -61.34 -46.59 89.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.452 -0.34 . . . . 6.4 110.979 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 57.38 93.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 6.51 111.224 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -96.4 11.73 33.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 8.11 110.673 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.82 160.94 11.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.918 -0.658 . . . . 4.13 112.299 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 64.91 153.85 0.12 Allowed Pre-proline 0 N--CA 1.463 0.19 0 CA-C-O 120.617 0.246 . . . . 6.42 111.199 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.45 -76.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.755 2.303 . . . . 2.76 112.784 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.78 151.8 50.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 2.36 111.358 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.597 ' HB2' HD21 ' A' ' 82' ' ' LEU . 72.6 Cg_endo -76.11 82.89 2.09 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.395 2.063 . . . . 1.56 112.454 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -96.91 -28.26 14.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.531 0.682 . . . . 3.3 110.465 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -41.21 -40.78 1.67 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.303 -1.317 . . . . 2.78 112.921 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -57.78 -60.73 3.26 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.779 -0.368 . . . . 1.25 111.56 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.75 -24.65 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.57 111.133 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.28 -48.1 62.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 1.44 111.242 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.46 -23.51 60.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 2.17 111.281 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 82' ' ' LEU . 45.2 t -72.99 -58.51 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.561 -0.29 . . . . 0.77 111.211 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.21 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -72.16 -50.99 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 1.17 110.619 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.97 -44.75 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.31 111.232 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.477 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 45.8 t60 -62.13 -55.92 23.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.207 0.527 . . . . 0.64 110.328 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.21 -25.08 61.9 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.31 111.646 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 96' ' ' GLN . 35.5 t80 -67.15 -50.69 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.56 -0.163 . . . . 0.34 110.56 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.5 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 7.4 m0 -57.23 -56.03 27.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.233 0.54 . . . . 0.32 110.131 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -55.07 -39.4 69.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.578 -0.737 . . . . 0.53 111.038 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -86.4 -7.15 58.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.95 110.539 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' TYR . 9.0 tt0 -80.5 -28.71 37.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.962 -0.563 . . . . 3.18 110.095 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 61.59 43.17 10.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.795 -0.639 . . . . 2.2 110.506 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 56.2 ttp 61.29 76.15 0.38 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.647 -0.706 . . . . 2.39 111.33 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 58.99 9.99 1.42 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.929 -0.578 . . . . 4.42 112.046 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.688 ' HG3' ' H ' ' A' ' 102' ' ' GLN . 3.8 pt20 39.62 -155.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.374 0.421 . . . . 4.74 111.688 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.0 mt -101.38 19.08 18.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.539 -0.3 . . . . 5.61 111.042 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.688 ' H ' ' HG3' ' A' ' 100' ' ' GLN . 44.7 tt0 -150.22 170.78 18.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 7.84 110.564 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.468 ' H ' ' HG2' ' A' ' 102' ' ' GLN . 63.7 tt0 62.28 91.06 0.07 Allowed 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.94 0.4 . . . . 8.28 111.0 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -98.19 73.46 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 6.74 110.453 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.533 -0.746 . . . . 4.85 111.41 179.568 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.795 0.331 . . . . 10.3 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -96.45 -31.77 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 10.1 110.901 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HE ' ' H ' ' A' ' 12' ' ' ILE . 6.9 tpm_? -79.92 131.06 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 7.28 110.803 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.554 ' H ' ' HE ' ' A' ' 11' ' ' ARG . 43.5 pt -97.71 176.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 6.21 111.183 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -118.81 0.72 11.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 6.48 110.929 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 7.0 mpt_? -88.16 150.78 47.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 6.47 110.727 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.17 -37.54 5.87 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.327 2.018 . . . . 2.39 112.232 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -133.33 162.4 31.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 2.2 111.008 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p -152.09 177.04 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.901 -0.59 . . . . 1.35 110.448 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.95 -35.4 22.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 0.44 110.92 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 22' ' ' GLU . . . -56.7 -37.92 71.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.957 -0.565 . . . . 0.37 110.518 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.76 -25.89 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 2.51 110.123 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' VAL . 44.3 t -58.12 -35.17 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.675 -0.693 . . . . 0.42 110.912 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 23' ' ' ALA . 11.8 pt-20 -49.1 -49.61 41.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.018 0.437 . . . . 2.37 110.127 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 22' ' ' GLU . . . -63.43 -42.08 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 0.35 109.692 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.9 -28.53 66.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.688 -0.687 . . . . 0.54 110.099 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' HA ' HG22 ' A' ' 28' ' ' VAL . 76.6 t -72.8 -41.33 61.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.014 -0.539 . . . . 1.22 110.288 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' C ' ' HG2' ' A' ' 29' ' ' GLU . 36.0 tt0 -66.83 -20.14 65.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.97 -0.559 . . . . 1.65 110.44 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.465 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . . . -88.1 -39.02 14.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 0.44 111.938 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.9 m -85.69 -17.81 9.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 112.807 0.669 . . . . 0.33 112.807 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG2' ' C ' ' A' ' 26' ' ' GLN . 3.4 pt-20 -54.43 -15.81 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.853 0.316 . . . . 0.73 111.853 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' NZ ' ' HA ' ' A' ' 27' ' ' ALA . 18.5 pttm -105.25 -47.9 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.778 0.288 . . . . 1.78 111.778 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -104.71 28.24 7.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.79 0.329 . . . . 0.99 111.428 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.33 173.18 20.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.815 -0.707 . . . . 0.31 112.762 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.7 m -154.55 -35.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.322 . . . . 1.39 111.175 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.37 30.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.48 112.463 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HE ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER 45.48 25.23 0.22 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.77 0.428 . . . . 4.45 111.633 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -59.4 -48.87 79.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.955 0.407 . . . . 3.87 110.284 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.48 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 3.51 110.314 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' CYS . 11.1 t70 -65.83 -63.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.598 -0.728 . . . . 2.19 110.718 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -52.72 -27.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 1.61 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -69.15 -54.85 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 2.16 111.67 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -113.85 25.94 10.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.001 0.371 . . . . 1.94 112.001 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASP . 52.0 t -50.47 -45.89 56.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.128 0.489 . . . . 1.02 109.921 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 176.73 26.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.159 -0.928 . . . . 0.84 110.975 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.7 t80 67.04 10.93 8.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.827 -1.175 . . . . 3.45 107.827 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -85.96 -48.49 8.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.489 -1.232 . . . . 2.1 111.329 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.12 24.67 12.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.83 110.982 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.39 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.98 111.107 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -107.31 -8.06 16.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 2.33 110.786 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 63.74 110.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 3.59 111.04 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -93.98 -66.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 5.44 111.137 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 15.0 m -153.57 154.21 33.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.01 110.744 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.455 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.26 -45.76 93.19 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.829 0.307 . . . . 0.57 111.829 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 74.1 t -77.3 -43.65 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.005 -0.278 . . . . 0.4 110.956 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.51 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -55.14 -50.27 69.71 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.03 0.443 . . . . 0.65 110.09 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.466 HD12 ' HE ' ' A' ' 35' ' ' ARG . 3.0 tm? -62.31 -37.46 85.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.285 -0.635 . . . . 1.81 109.285 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -66.23 -25.71 67.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.801 -0.636 . . . . 2.86 110.059 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 48.7 m-20 -72.48 -39.41 67.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.982 -0.554 . . . . 2.04 110.243 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.08 -33.56 76.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 2.38 110.196 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -75.54 -45.53 37.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.612 -0.722 . . . . 0.57 110.379 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -63.29 -33.94 76.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 1.06 111.075 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.653 ' HA ' ' ND1' ' A' ' 64' ' ' HIS . 15.0 t -79.85 -28.07 40.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.504 . . . . 0.97 110.481 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.55 -0.75 . . . . 1.27 110.538 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.78 -36.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.47 112.181 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.653 ' ND1' ' HA ' ' A' ' 61' ' ' THR . 0.5 OUTLIER -75.95 -32.53 59.58 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.667 -0.413 . . . . 1.24 110.689 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.3 m -78.87 -17.22 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 1.18 110.375 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.54 -72.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 0.84 111.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 67' ' ' LYS . 3.7 ttmp? -164.01 19.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 3.29 111.392 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 64' ' ' HIS . 27.4 mt -74.2 -20.15 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 1.01 110.546 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 m 51.62 75.04 0.69 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.928 -0.578 . . . . 1.82 111.409 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 59.0 Cg_endo -73.07 -63.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.573 2.182 . . . . 1.61 112.457 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' A' ' 70' ' ' PRO . 29.0 pt20 -105.26 -11.96 16.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.297 -0.411 . . . . 4.66 111.195 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -58.87 -47.4 85.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.354 -0.384 . . . . 6.4 111.039 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -162.54 103.25 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 6.51 110.909 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 74' ' ' ARG . 7.2 tpm_? -167.2 -55.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 8.11 110.868 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.19 41.09 2.67 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.807 -0.711 . . . . 4.13 112.429 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -122.19 152.46 60.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.527 0.203 . . . . 6.42 110.807 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.71 -85.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.399 2.066 . . . . 2.76 112.396 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -91.43 131.45 36.28 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 2.36 110.939 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.6 ' HB2' HD21 ' A' ' 82' ' ' LEU . 59.6 Cg_endo -71.91 86.3 0.92 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.428 2.086 . . . . 1.56 112.247 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -96.65 -29.8 13.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 3.3 111.544 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.548 ' HG3' HD23 ' A' ' 82' ' ' LEU . 12.3 pt-20 -48.79 -54.04 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 2.78 111.516 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -50.59 -57.45 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 1.25 111.446 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.07 -34.12 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 0.57 111.203 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -65.56 -50.7 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.44 111.195 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HD2' HD13 ' A' ' 68' ' ' ILE . 17.6 ptp180 -71.14 -20.31 62.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 2.17 111.019 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 82' ' ' LEU . 27.0 t -70.99 -61.75 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.305 -0.407 . . . . 0.77 110.643 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.09 -25.11 67.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 1.21 110.378 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.38 -48.74 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.135 0.493 . . . . 1.17 110.051 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.7 98.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.58 -0.737 . . . . 0.31 110.893 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.63 -55.66 28.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.954 0.407 . . . . 0.64 110.311 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.74 -33.71 55.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.647 -0.787 . . . . 0.31 111.666 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 96' ' ' GLN . 23.8 t80 -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.533 -0.173 . . . . 0.34 110.533 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -55.93 -57.94 10.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.14 0.495 . . . . 0.32 110.32 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.9 p -58.12 -33.95 69.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.525 -0.761 . . . . 0.53 111.668 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -90.61 -6.66 54.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 1.95 111.026 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 92' ' ' TYR . 17.6 tp60 -87.45 -26.68 23.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 3.18 110.357 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 68.23 31.16 5.35 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.648 -0.705 . . . . 2.2 110.678 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 42.5 ttm 58.92 23.9 11.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.862 -0.608 . . . . 2.39 110.982 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 55.95 64.35 1.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 4.42 110.884 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 59.91 33.37 21.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.173 -0.467 . . . . 4.74 110.962 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 101' ' ' LEU . 7.2 mp 60.94 20.38 10.71 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.066 -0.516 . . . . 5.61 111.218 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -90.52 108.36 19.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 7.84 110.809 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -96.74 -5.63 38.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 8.28 111.007 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -87.41 80.43 8.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 6.74 110.757 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.22 -0.895 . . . . 4.85 111.041 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 10.3 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HD3' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -118.26 1.03 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 10.1 110.784 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -118.41 98.56 6.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 7.28 110.68 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 12' ' ' ILE . 4.7 mp -123.88 135.67 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 6.21 111.041 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -137.79 -176.14 4.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 6.48 110.66 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 3.4 ppt_? -152.74 152.21 28.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 6.47 111.15 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.26 -53.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.584 2.189 . . . . 2.39 112.484 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -100.02 163.79 12.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 2.2 111.168 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 47.2 t -149.28 162.4 40.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.56 . . . . 1.35 110.597 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.39 -31.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.896 0.379 . . . . 0.44 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.48 -48.97 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.37 110.466 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -35.5 81.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.704 -0.68 . . . . 2.51 110.37 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.4 t -58.56 -32.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.42 110.561 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 40.2 tt0 -49.66 -57.28 7.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 2.37 110.412 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.11 94.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.35 110.036 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.56 -26.3 65.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.75 -0.659 . . . . 0.54 110.276 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' A' ' 28' ' ' VAL . 25.2 t -75.99 -40.33 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.94 -0.573 . . . . 1.22 110.377 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.02 -21.49 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 1.65 110.424 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.77 -37.53 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.917 -0.583 . . . . 0.44 112.098 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.5 m -85.66 -18.29 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 112.729 0.64 . . . . 0.33 112.729 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.51 -10.33 2.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.901 0.334 . . . . 0.73 111.901 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -106.14 -47.69 3.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.77 0.285 . . . . 1.78 111.77 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -113.72 32.98 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.99 111.454 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.5 51.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.31 112.795 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.436 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 60.0 m -151.97 -40.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.781 0.324 . . . . 1.39 110.973 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.07 19.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.836 -0.697 . . . . 0.48 112.607 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 43.26 25.01 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.782 0.433 . . . . 4.45 111.386 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.436 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 7.9 p-90 -59.14 -41.71 88.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 3.87 111.118 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.75 -33.08 71.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 3.51 110.517 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.9 m-20 -66.61 -53.97 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.91 -0.586 . . . . 2.19 110.968 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.587 HG21 HD12 ' A' ' 55' ' ' LEU . 12.5 p -60.67 -30.79 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 1.61 111.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -66.79 -46.22 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 2.16 111.192 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.79 25.22 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 1.94 111.579 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' HG21 ' A' ' 21' ' ' VAL . 41.6 t -52.3 -46.08 65.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.122 0.487 . . . . 1.02 109.905 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 179.93 24.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.32 -0.855 . . . . 0.84 111.046 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 t80 69.03 8.76 7.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 108.199 -1.037 . . . . 3.45 108.199 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.98 -51.49 6.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.566 -1.197 . . . . 2.1 111.228 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.05 25.94 8.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.83 110.996 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -8.75 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.98 111.043 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.87 -8.0 20.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 2.33 110.757 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m80 63.34 109.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 3.59 111.162 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -73.45 -76.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 5.44 110.959 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.497 HG22 ' HD1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -158.06 175.95 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.272 -0.422 . . . . 1.01 110.483 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' HD1' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -63.76 -47.47 80.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.647 0.24 . . . . 0.57 111.647 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 99.2 t -78.44 -39.1 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.837 -0.345 . . . . 0.4 110.693 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 -40.74 84.68 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.136 0.494 . . . . 0.65 109.913 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 HG21 ' A' ' 39' ' ' VAL . 5.9 tt -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.64 -0.709 . . . . 1.81 109.604 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -68.34 -16.84 64.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 2.86 110.1 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.13 -48.83 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 2.04 109.99 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -63.07 -31.26 72.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 2.38 110.282 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.404 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.7 t-105 -75.4 -48.18 24.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.737 -0.665 . . . . 0.57 110.226 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.528 ' HD2' HD13 ' A' ' 82' ' ' LEU . 1.6 ttpm? -55.74 -40.39 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.731 -0.668 . . . . 1.06 110.387 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 64' ' ' HIS . 36.1 m -77.15 -25.24 51.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.712 -0.676 . . . . 0.97 110.364 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.73 97.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 1.27 110.205 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 68' ' ' ILE . 18.1 m -83.98 -43.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.47 110.697 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 61' ' ' THR . 13.4 t-160 -50.22 -53.6 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.045 -0.525 . . . . 1.24 110.673 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -57.39 -27.46 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 1.18 111.704 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 63' ' ' VAL . . . -59.96 -88.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.619 -0.264 . . . . 0.84 111.233 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -152.82 24.47 0.57 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.715 -0.22 . . . . 3.29 111.377 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 63' ' ' VAL . 46.7 mm -60.26 -30.42 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.972 -0.291 . . . . 1.01 110.558 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.8 t 39.77 71.51 1.17 Allowed Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 115.933 -0.576 . . . . 1.82 111.55 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HG2' HD23 ' A' ' 82' ' ' LEU . 10.9 Cg_exo -71.83 -1.26 9.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.82 2.347 . . . . 1.61 112.289 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.487 ' C ' ' H ' ' A' ' 73' ' ' ARG . 76.3 mm-40 -105.07 -48.07 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 4.66 111.152 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 71' ' ' GLN . 15.5 mm100 71.95 -23.08 0.19 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.029 -0.532 . . . . 6.4 111.387 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.487 ' H ' ' C ' ' A' ' 71' ' ' GLN . 16.2 ptm180 -178.78 29.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.241 -0.436 . . . . 6.51 110.509 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 61.46 93.75 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.034 -0.53 . . . . 8.11 110.504 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.19 -110.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.843 -0.694 . . . . 4.13 112.625 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.644 ' H ' ' HD2' ' A' ' 77' ' ' PRO . 10.3 tp10 -167.8 -51.61 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.617 0.228 . . . . 6.42 111.617 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.644 ' HD2' ' H ' ' A' ' 76' ' ' GLU . 62.7 Cg_endo -71.93 -98.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.938 1.758 . . . . 2.76 112.672 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 m -149.85 152.97 35.44 Favored Pre-proline 0 CA--C 1.53 0.194 0 CA-C-N 116.798 -0.183 . . . . 2.36 111.263 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.2 103.01 1.6 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.517 2.144 . . . . 1.56 112.134 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -96.28 -26.81 15.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 3.3 111.182 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.14 -47.46 62.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.913 -0.585 . . . . 2.78 111.643 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 83' ' ' LEU . 1.1 pp -58.38 -36.35 73.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.623 -0.262 . . . . 1.25 111.573 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.73 ' N ' HD12 ' A' ' 82' ' ' LEU . 19.4 mt -77.64 -29.09 51.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.57 111.205 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -71.15 -50.42 33.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.409 . . . . 1.44 111.379 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' NE ' HD12 ' A' ' 68' ' ' ILE . 13.1 ptm180 -71.68 -31.26 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.399 -0.364 . . . . 2.17 111.811 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.49 HG21 ' HA ' ' A' ' 60' ' ' LYS . 5.0 t -70.18 -57.2 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.655 0.264 . . . . 0.77 111.178 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.84 -30.61 67.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.955 0.407 . . . . 1.21 110.276 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -73.55 -41.33 63.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 1.17 110.217 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.41 21.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.606 -0.725 . . . . 0.31 110.924 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -58.94 -51.41 70.17 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.243 0.544 . . . . 0.64 110.189 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.77 -30.95 57.56 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.386 -0.824 . . . . 0.31 111.833 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.85 -40.16 83.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.682 0.277 . . . . 0.34 110.294 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -58.72 -55.97 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.32 110.51 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -67.22 -48.52 67.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.77 -0.65 . . . . 0.53 112.216 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.24 -64.33 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.147 0.425 . . . . 1.95 112.147 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -64.27 -18.4 64.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.018 -0.273 . . . . 3.18 111.334 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 57.37 70.0 0.69 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.416 . . . . 2.2 111.343 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 99' ' ' GLN . 65.8 mtt 52.99 55.73 8.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.024 -0.535 . . . . 2.39 111.436 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 98' ' ' MET . 64.6 tt0 74.05 -37.29 0.36 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.065 -0.516 . . . . 4.42 111.741 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -169.95 -76.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.762 0.315 . . . . 4.74 110.748 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.7 -30.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.606 . . . . 5.61 109.583 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.625 ' HG3' ' H ' ' A' ' 104' ' ' ASN . 56.9 tp60 -63.58 140.53 58.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.528 -0.76 . . . . 7.84 110.83 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.88 -29.02 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 8.28 111.039 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.625 ' H ' ' HG3' ' A' ' 102' ' ' GLN . 18.0 m120 -73.05 80.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 6.74 110.814 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.457 HG11 HD23 ' A' ' 31' ' ' LEU . 2.6 p . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.539 -0.743 . . . . 4.85 111.166 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.712 0.291 . . . . 10.3 110.706 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -49.71 -34.48 18.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.1 111.206 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -92.42 131.55 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 7.28 110.832 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mm -85.54 135.75 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 6.21 111.066 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -142.19 146.86 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 6.48 111.059 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.508 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 2.8 mmp_? -137.84 128.49 15.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 6.47 110.835 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -79.99 -38.44 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.471 2.114 . . . . 2.39 112.629 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -120.02 166.6 13.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.026 0.441 . . . . 2.2 111.317 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 21' ' ' VAL . 42.7 t -162.87 171.1 17.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 1.35 110.339 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -46.13 -35.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.795 0.331 . . . . 0.44 111.485 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.85 84.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.37 110.842 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.35 -33.74 69.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 2.51 110.402 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 25' ' ' VAL . 65.2 t -56.21 -34.74 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.976 -0.556 . . . . 0.42 110.608 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.49 -54.9 22.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.229 -0.441 . . . . 2.37 110.309 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.27 83.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.35 110.212 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.09 -31.22 66.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.654 -0.703 . . . . 0.54 110.427 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.6 t -69.32 -42.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 1.22 110.377 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -66.78 -20.37 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.65 110.437 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.09 -36.06 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.44 112.002 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.6 m -85.99 -18.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 112.794 0.664 . . . . 0.33 112.794 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -57.83 -10.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.01 0.374 . . . . 0.73 112.01 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.613 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 56.5 pttt -100.7 -47.76 4.73 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.863 0.32 . . . . 1.78 111.863 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.613 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -118.6 32.56 6.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.774 0.321 . . . . 0.99 111.498 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.8 -179.51 28.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.79 -0.719 . . . . 0.31 112.756 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.5 m -151.22 -37.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.303 . . . . 1.39 110.829 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 176.91 28.49 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.48 112.474 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 44.39 28.94 0.34 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.709 0.29 . . . . 4.45 111.495 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -64.54 -48.91 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 3.87 110.194 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' H ' ' HD2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -72.53 -26.51 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 3.51 110.726 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -57.22 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 2.19 110.241 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.71 HG21 HD11 ' A' ' 55' ' ' LEU . 32.7 m -61.36 -27.22 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.117 -0.492 . . . . 1.61 110.448 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.52 -51.75 61.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.793 -0.64 . . . . 2.16 111.362 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.7 mt -113.25 25.02 11.7 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.133 0.42 . . . . 1.94 112.133 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.8 p -57.9 -45.81 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.706 -0.479 . . . . 1.02 109.706 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.43 27.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.28 -0.873 . . . . 0.84 110.715 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.1 t80 66.77 17.63 10.59 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.449 -1.315 . . . . 3.45 107.449 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.38 -54.66 4.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.043 -1.435 . . . . 2.1 111.164 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -97.99 17.05 19.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.83 110.777 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -5.96 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.98 111.429 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -95.4 -25.78 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.546 -0.297 . . . . 2.33 110.569 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 55.34 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.864 -0.607 . . . . 3.59 111.324 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -71.28 -83.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 5.44 111.036 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -147.17 179.94 7.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.417 -0.356 . . . . 1.01 110.737 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.428 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.4 OUTLIER -60.69 -46.18 91.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.056 0.391 . . . . 0.57 112.056 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 93.2 t -79.85 -40.36 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.037 -0.265 . . . . 0.4 111.407 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.984 0.421 . . . . 0.65 110.437 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 39' ' ' VAL . 9.7 tt -65.7 -51.64 57.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 1.81 110.112 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -63.72 -20.87 66.08 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 2.86 109.955 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -50.92 51.64 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.535 -0.543 . . . . 2.04 109.535 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -61.37 -25.65 67.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.597 -0.729 . . . . 2.38 109.702 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.5 t-105 -76.91 -47.48 20.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.522 -0.763 . . . . 0.57 109.993 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.4 ttpm? -58.59 -33.62 70.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 1.06 110.51 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.436 ' HA ' ' HB3' ' A' ' 64' ' ' HIS . 42.3 m -82.71 -26.59 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.623 . . . . 0.97 109.778 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.18 -35.48 80.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 1.27 109.948 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 68' ' ' ILE . 18.5 m -89.46 -42.97 14.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 0.47 110.37 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.543 ' HB2' HD13 ' A' ' 82' ' ' LEU . 14.1 t60 -53.26 -35.77 60.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.959 -0.564 . . . . 1.24 110.919 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -88.58 -17.32 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 1.18 111.401 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.05 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 0.84 111.603 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 3.6 ttmp? -161.07 21.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.985 0.421 . . . . 3.29 110.971 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 63' ' ' VAL . 47.1 mm -58.59 -26.58 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 1.01 111.035 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . 56.4 m 55.92 73.52 0.83 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 1.82 110.892 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.63 -65.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.998 2.466 . . . . 1.61 112.31 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -84.81 -2.91 58.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 4.66 111.042 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 29.2 mm-40 -80.94 2.98 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 6.4 110.813 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -128.77 174.32 9.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 6.51 110.906 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -97.97 160.06 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 8.11 110.94 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.85 -164.68 46.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 4.13 112.493 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 40.9 tt0 63.93 119.62 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 122.102 0.161 . . . . 6.42 111.098 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 76' ' ' GLU . 12.1 Cg_exo -71.25 -75.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.495 2.13 . . . . 2.76 112.166 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG23 ' HG3' ' A' ' 80' ' ' GLN . 28.4 m -115.97 150.96 45.95 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 2.36 111.182 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.502 ' HB2' HD11 ' A' ' 82' ' ' LEU . 58.8 Cg_endo -71.97 94.3 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.419 2.08 . . . . 1.56 112.288 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.439 ' HG3' HG23 ' A' ' 78' ' ' VAL . 49.4 mt-30 -96.2 -26.03 15.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 3.3 110.988 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -48.3 -35.6 12.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 2.78 111.614 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -65.09 -59.92 3.6 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.385 -0.371 . . . . 1.25 110.605 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.89 -36.36 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.57 110.902 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.65 -51.5 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.91 -0.586 . . . . 1.44 111.427 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.71 -20.02 64.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.639 -0.255 . . . . 2.17 111.603 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 82' ' ' LEU . 53.2 t -75.46 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.648 0.261 . . . . 0.77 111.301 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.51 -24.64 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 1.21 111.246 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -76.83 -55.75 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 1.17 110.694 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.53 85.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.31 110.931 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.453 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 60.7 t60 -58.66 -55.69 31.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.209 0.528 . . . . 0.64 110.378 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -31.89 61.6 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.741 -0.742 . . . . 0.31 111.846 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -67.57 -42.41 82.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.607 0.242 . . . . 0.34 110.675 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.453 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 26.7 m0 -58.0 -54.08 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.415 . . . . 0.32 110.299 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 p -67.11 -49.76 63.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.616 . . . . 0.53 111.963 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -65.32 -62.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 1.95 111.705 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.479 ' HG3' ' H ' ' A' ' 99' ' ' GLN . 23.7 tp60 -61.35 -19.58 62.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.733 0.302 . . . . 3.18 111.018 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 59.53 44.91 14.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 2.2 111.016 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 67.0 mtm 58.89 45.88 14.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 2.39 110.863 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.479 ' H ' ' HG3' ' A' ' 96' ' ' GLN . 36.0 tt0 58.44 77.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.926 -0.579 . . . . 4.42 110.833 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 59.35 -174.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.586 . . . . 4.74 111.08 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.9 mp -98.73 -48.59 4.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 5.61 110.829 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.566 ' HG2' ' HG2' ' A' ' 103' ' ' GLN . 29.1 tt0 -68.18 141.89 55.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 7.84 110.768 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.566 ' HG2' ' HG2' ' A' ' 102' ' ' GLN . 29.6 mm-40 58.67 90.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 8.28 111.071 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -83.62 72.68 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 6.74 110.308 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.433 HG11 ' HD2' ' A' ' 30' ' ' LYS . 39.8 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.311 -0.852 . . . . 4.85 111.199 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.738 0.304 . . . . 8.02 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 58.47 19.4 6.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.119 -0.491 . . . . 10.69 111.138 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -86.41 131.98 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 8.17 110.941 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 15' ' ' PRO . 15.6 tt -105.27 144.37 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 6.48 111.053 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -81.36 98.5 8.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 7.85 111.026 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 10.2 mpt_? 54.14 85.4 0.19 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.091 -0.504 . . . . 8.66 111.223 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.494 ' HB3' HG21 ' A' ' 12' ' ' ILE . 70.9 Cg_endo -75.53 -39.5 1.03 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.497 2.131 . . . . 2.37 112.365 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -85.99 161.14 19.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.094 -0.503 . . . . 1.42 111.222 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.2 p -166.74 -176.68 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.6 . . . . 1.54 110.461 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.98 -32.61 15.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.897 0.379 . . . . 0.65 110.856 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.53 73.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.065 -0.516 . . . . 0.63 110.484 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.73 -35.63 81.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 2.03 110.222 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 25' ' ' VAL . 92.0 t -56.05 -33.57 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.87 -0.604 . . . . 1.1 110.502 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.4 tm-20 -50.45 -53.73 27.46 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.186 -0.461 . . . . 2.29 110.16 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.73 96.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.45 110.006 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.04 -27.49 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.669 -0.696 . . . . 0.63 110.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.502 ' HA ' HG22 ' A' ' 28' ' ' VAL . 40.4 t -73.44 -42.76 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 2.08 110.444 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.88 -21.66 66.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 2.43 110.537 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.6 -35.8 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.56 112.099 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.9 m -85.96 -18.49 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.601 0.593 . . . . 0.44 112.601 -178.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.24 -10.15 14.43 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.932 0.345 . . . . 1.13 111.932 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.596 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -104.01 -45.39 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.181 0.437 . . . . 1.48 112.181 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.1 pp -122.24 32.14 5.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.878 0.325 . . . . 0.81 111.878 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.96 -173.58 48.85 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.656 -0.783 . . . . 0.33 112.76 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.535 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.2 m -141.17 -38.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.015 0.436 . . . . 1.33 110.646 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . -174.82 25.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.65 112.22 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.519 HH11 HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER 40.87 27.52 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.115 0.566 . . . . 4.26 111.817 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.443 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 34.9 m95 -58.25 -44.28 88.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 4.61 110.317 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -68.72 -23.91 64.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.78 -0.645 . . . . 3.3 110.63 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 3.4 m-20 -73.8 -52.03 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.78 110.94 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.496 HG11 HD13 ' A' ' 55' ' ' LEU . 13.9 p -64.53 -30.58 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 2.01 111.333 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 41' ' ' LEU . 14.3 mptt -73.11 -41.85 63.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.465 -0.334 . . . . 3.34 111.236 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 40' ' ' LYS . 7.9 mp -112.77 24.74 12.11 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.877 0.325 . . . . 2.44 111.877 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.55 -46.05 84.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 1.36 109.916 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -176.73 25.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 1.0 110.846 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 66.77 11.98 8.58 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.559 -0.904 . . . . 3.34 108.559 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -85.91 -51.8 6.14 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.613 -1.176 . . . . 2.12 111.389 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -105.76 24.24 12.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 1.46 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.71 -7.16 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.12 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.79 -0.04 57.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.986 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 37.81 94.23 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.602 0.564 . . . . 5.11 112.171 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.71 -69.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 5.96 111.098 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -160.0 178.6 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 0.99 110.611 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.509 ' H ' HG22 ' A' ' 51' ' ' THR . 0.9 OUTLIER -63.59 -48.04 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.083 -0.247 . . . . 0.59 111.589 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.423 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 74.2 t -79.78 -37.59 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.611 0.243 . . . . 0.46 110.841 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.51 -52.97 62.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.996 0.427 . . . . 0.71 110.519 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 HH11 ' A' ' 35' ' ' ARG . 0.4 OUTLIER -63.19 -37.73 88.4 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.571 -0.529 . . . . 1.69 109.571 179.218 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 tppt? -66.37 -26.74 67.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.998 -0.546 . . . . 3.41 109.9 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.23 -48.02 66.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.702 -0.681 . . . . 2.08 109.712 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -56.61 -37.04 70.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 3.01 109.738 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.51 -45.84 71.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.75 109.968 179.004 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HB2' HG21 ' A' ' 86' ' ' VAL . 5.1 tmtt? -58.73 -33.33 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.539 -0.755 . . . . 1.68 110.726 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.409 ' N ' ' HD3' ' A' ' 60' ' ' LYS . 57.6 m -84.6 -27.09 27.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.281 0.562 . . . . 1.2 110.111 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -34.63 77.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.177 -0.92 . . . . 1.34 110.578 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.42 -31.81 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 0.56 111.198 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.486 ' HA ' HG13 ' A' ' 68' ' ' ILE . 76.4 t60 -69.73 -38.39 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 1.52 110.89 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.7 m -78.03 -17.35 57.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.086 -0.506 . . . . 1.74 111.028 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 0.64 111.409 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -161.68 19.98 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.531 -0.304 . . . . 3.49 111.344 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.486 HG13 ' HA ' ' A' ' 64' ' ' HIS . 46.3 mm -59.62 -28.08 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 1.25 110.766 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 53.0 m 53.98 92.58 0.06 OUTLIER Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 115.987 -0.551 . . . . 1.79 111.599 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.15 -5.16 14.94 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.78 2.32 . . . . 1.58 111.953 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 73' ' ' ARG . 14.8 mm100 -105.36 27.69 8.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 3.37 111.381 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 69' ' ' SER . 43.0 mt-30 -65.15 1.57 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.319 . . . . 4.29 111.392 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.585 ' HG2' ' H ' ' A' ' 74' ' ' ARG . 26.0 ttp180 60.87 -158.17 0.33 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.493 -0.321 . . . . 5.94 110.723 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.585 ' H ' ' HG2' ' A' ' 73' ' ' ARG . 80.6 mtp180 61.48 -173.55 0.14 Allowed 'General case' 0 C--O 1.231 0.1 0 CA-C-N 116.463 -0.335 . . . . 8.91 111.003 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.98 88.51 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.849 -0.691 . . . . 3.71 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -162.87 86.41 1.38 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.563 0.221 . . . . 5.92 110.861 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 54.0 Cg_endo -71.63 -84.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.406 2.071 . . . . 1.99 112.316 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.431 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 47.5 t -87.75 133.78 37.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 1.82 110.831 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 78' ' ' VAL . 11.9 Cg_exo -70.95 94.91 0.64 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.477 2.118 . . . . 1.05 112.268 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -96.35 -24.49 16.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.498 . . . . 2.18 110.998 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -47.68 -38.06 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.806 -0.634 . . . . 1.84 111.609 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 83' ' ' LEU . 2.3 pp -60.67 -51.7 68.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.523 -0.308 . . . . 1.5 111.166 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 82' ' ' LEU . 16.9 mt -63.86 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.74 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -68.57 -47.26 67.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 1.33 111.512 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -75.37 -29.51 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 2.4 111.878 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 82' ' ' LEU . 40.2 t -70.44 -52.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 0.55 111.232 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.39 -31.04 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 1.24 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.15 -57.81 4.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 1.18 110.821 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.14 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.952 -0.567 . . . . 0.27 111.156 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.408 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 11.3 t-160 -61.42 -55.32 32.75 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.139 0.495 . . . . 1.32 110.39 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.14 -29.74 56.57 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.34 111.919 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 96' ' ' GLN . 19.9 t80 -67.13 -47.12 72.06 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.526 -0.176 . . . . 0.4 110.526 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 18.5 m0 -55.95 -55.52 31.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.502 . . . . 0.42 110.14 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p -59.39 -48.89 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.5 110.958 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -69.38 -14.62 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 2.24 110.449 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' A' ' 93' ' ' TRP . 6.7 tt0 -76.46 -33.68 58.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.665 -0.494 . . . . 3.17 109.665 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HB3' ' HG3' ' A' ' 99' ' ' GLN . 25.1 tt0 65.49 24.47 11.87 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.325 -0.852 . . . . 2.39 110.713 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 44.7 tpp 59.88 6.84 0.98 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 2.74 111.079 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.529 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 46.7 mt-30 -82.15 -11.92 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 5.0 110.796 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 58.46 30.83 20.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 5.86 110.491 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 99' ' ' GLN . 83.7 mt -49.12 -33.17 11.35 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.035 -0.53 . . . . 4.78 111.21 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -113.29 108.12 16.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 5.82 110.785 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -91.64 5.26 50.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 5.22 110.965 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -80.71 80.26 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 5.65 110.801 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.281 -0.866 . . . . 4.19 111.054 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.662 0.268 . . . . 8.02 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 58.29 21.22 7.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.459 . . . . 10.69 110.984 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -60.31 154.35 20.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 8.17 110.802 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.0 mm -55.21 125.3 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 6.48 111.049 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -69.08 98.4 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 7.85 111.055 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -169.92 67.41 0.57 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 8.66 110.904 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.71 125.63 8.31 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.52 2.147 . . . . 2.37 112.328 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.98 141.9 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 1.42 111.014 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.4 m -131.75 179.79 5.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 1.54 110.674 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.2 p -59.9 -25.99 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.142 0.496 . . . . 0.65 110.685 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.78 85.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.57 . . . . 0.63 110.402 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.06 -40.75 30.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.752 -0.658 . . . . 2.03 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 18' ' ' VAL . 2.8 p -61.29 -24.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.366 -0.379 . . . . 1.1 110.521 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HA ' HD11 ' A' ' 62' ' ' LEU . 36.8 tt0 -54.32 -49.1 70.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.378 0.608 . . . . 2.29 110.136 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.26 73.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.644 -0.707 . . . . 0.45 110.364 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.65 -42.96 93.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 0.63 111.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' A' ' 28' ' ' VAL . 32.2 m -73.75 -27.0 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 2.08 110.811 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -73.82 -21.27 60.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 2.43 110.046 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.5 -38.48 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.783 -0.644 . . . . 0.56 111.55 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.6 m -82.98 -18.06 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.363 -0.381 . . . . 0.44 111.974 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -22.94 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.672 0.272 . . . . 1.13 111.547 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.545 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 20.6 ptmt -96.91 -47.72 5.72 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.249 0.463 . . . . 1.48 112.249 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.545 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.5 pp -110.34 33.69 4.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.867 0.365 . . . . 0.81 111.567 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -76.33 -175.19 39.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.87 -0.681 . . . . 0.33 112.782 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.516 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 62.4 m -157.12 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 1.33 110.948 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' HG3' ' A' ' 35' ' ' ARG . . . -176.6 24.48 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.694 -0.765 . . . . 0.65 112.731 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HD3' ' HZ3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER 44.63 29.8 0.45 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.754 0.311 . . . . 4.26 111.361 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -62.59 -47.96 81.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.177 0.513 . . . . 4.61 110.258 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -65.05 -36.82 85.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.777 -0.647 . . . . 3.3 110.43 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' CYS . 8.3 m-20 -63.77 -63.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.78 110.846 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.488 HG23 HD13 ' A' ' 55' ' ' LEU . 9.0 p -50.1 -30.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.41 -0.359 . . . . 2.01 111.549 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -68.3 -54.31 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.471 -0.331 . . . . 3.34 111.756 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.6 26.04 10.73 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.143 0.423 . . . . 2.44 112.143 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' ASP . 41.4 t -51.63 -45.99 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 1.36 110.035 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.18 25.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.157 -0.929 . . . . 1.0 111.006 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.5 t80 67.41 11.18 8.25 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.98 -1.118 . . . . 3.34 107.98 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -85.76 -47.7 9.5 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.496 -1.229 . . . . 2.12 111.357 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.4 25.44 11.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.46 111.095 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.62 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.261 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -108.33 -8.9 15.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 2.25 110.937 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 62.63 110.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.051 -0.522 . . . . 5.11 111.045 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -95.9 -69.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 5.96 111.223 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.48 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 17.5 m -149.73 155.06 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.99 110.754 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.75 -46.4 89.76 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 111.803 0.297 . . . . 0.59 111.803 -179.604 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.451 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 64.0 t -75.5 -42.05 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.954 -0.299 . . . . 0.46 110.781 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.4 m-20 -55.82 -47.62 76.86 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.068 0.461 . . . . 0.71 109.889 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.488 HD13 HG23 ' A' ' 39' ' ' VAL . 18.5 tp -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.854 -0.612 . . . . 1.69 109.393 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HZ3' ' HD3' ' A' ' 35' ' ' ARG . 17.1 tppt? -69.32 -24.47 63.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.568 -0.742 . . . . 3.41 110.163 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.77 -43.21 63.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 2.08 110.349 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.85 -28.78 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 3.01 110.077 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -72.49 -49.27 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.674 -0.693 . . . . 0.75 110.174 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' CB ' HG21 ' A' ' 86' ' ' VAL . 21.9 ptmt -68.5 -32.51 72.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.585 -0.734 . . . . 1.68 111.103 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.9 m -75.4 -25.29 57.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.47 0.653 . . . . 1.2 109.832 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.448 HD11 ' HA ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -73.44 -36.34 65.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.146 -0.934 . . . . 1.34 110.224 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.62 -24.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.56 111.234 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.53 ' HA ' HG13 ' A' ' 68' ' ' ILE . 66.0 t60 -75.99 -42.67 47.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 1.52 110.685 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 m -74.08 -17.17 60.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 1.74 110.85 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.81 -71.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 0.64 111.439 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -164.67 29.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 3.49 111.312 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' A' ' 64' ' ' HIS . 40.6 mm -69.03 -25.72 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.375 -0.375 . . . . 1.25 110.787 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.1 m 50.97 73.83 0.91 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 1.79 111.172 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HG3' ' HE2' ' A' ' 64' ' ' HIS . 71.8 Cg_endo -78.25 -7.5 16.11 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.569 2.179 . . . . 1.58 112.535 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -73.45 -47.26 43.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 3.37 110.909 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 55.33 34.5 23.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.095 -0.502 . . . . 4.29 110.815 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 62.81 35.14 13.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.969 -0.56 . . . . 5.94 110.998 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 63.08 110.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.069 -0.514 . . . . 8.91 111.233 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.52 60.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.858 -0.687 . . . . 3.71 112.476 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.58 155.28 36.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.415 0.15 . . . . 5.92 111.099 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.81 -86.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.383 2.055 . . . . 1.99 112.408 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' A' ' 80' ' ' GLN . 30.6 m -136.73 153.45 75.76 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 1.82 111.061 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.68 90.02 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.475 2.117 . . . . 1.05 112.45 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.561 ' HG3' HG23 ' A' ' 78' ' ' VAL . 48.5 mt-30 -97.99 -25.37 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 2.18 110.886 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.75 -58.19 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.58 -0.736 . . . . 1.84 112.343 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 82' ' ' LEU . 2.0 pt? -56.94 -48.8 77.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.612 0.227 . . . . 1.5 111.612 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.87 -32.56 67.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.709 0.29 . . . . 0.74 111.488 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -76.11 -52.73 9.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 1.33 111.806 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.88 -21.27 64.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.88 0.326 . . . . 2.4 111.88 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.482 HG21 ' CB ' ' A' ' 60' ' ' LYS . 49.0 t -84.76 -60.44 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.686 -0.234 . . . . 0.55 111.615 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.64 -26.37 61.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.749 0.309 . . . . 1.24 110.842 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -72.87 -49.59 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 1.18 110.357 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 92' ' ' TYR . . . -57.74 -46.8 83.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.724 -0.671 . . . . 0.27 111.229 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -60.71 -55.59 31.36 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.111 0.481 . . . . 1.32 110.343 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.34 -24.94 62.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.7 -0.762 . . . . 0.34 111.804 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLN . 38.8 t80 -66.65 -50.86 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.654 -0.128 . . . . 0.4 110.654 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.516 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 5.6 m0 -58.44 -54.23 49.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.225 0.536 . . . . 0.42 109.967 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.7 p -54.72 -38.9 67.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.534 -0.757 . . . . 0.5 110.722 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -87.31 -7.38 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 2.24 110.31 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 92' ' ' TYR . 7.7 tt0 -77.05 -31.19 56.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 3.17 109.824 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' HB3' ' HB2' ' A' ' 100' ' ' GLN . 47.8 tp60 64.73 44.68 3.67 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.514 -0.766 . . . . 2.39 110.766 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 99' ' ' GLN . 2.0 mpt? 55.61 71.33 0.56 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.832 -0.622 . . . . 2.74 110.732 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 98' ' ' MET . 35.9 tt0 72.94 -61.88 0.49 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.815 -0.63 . . . . 5.0 111.186 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' HB2' ' HB3' ' A' ' 97' ' ' GLN . 64.6 tt0 60.3 -86.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 5.86 111.25 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.9 mt -141.64 20.04 2.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.829 0.347 . . . . 4.78 110.982 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -114.67 119.99 38.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 5.82 110.889 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.21 8.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 5.22 111.107 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -81.14 80.25 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 5.65 110.835 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.416 HG21 ' HE3' ' A' ' 30' ' ' LYS . 45.0 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.316 -0.849 . . . . 4.19 111.02 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.84 0.352 . . . . 8.02 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.79 -30.6 71.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 10.69 110.86 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -77.52 146.75 36.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 8.17 110.843 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.85 138.41 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 6.48 111.019 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -83.86 -165.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 7.85 110.817 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 56.74 85.91 0.18 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 8.66 110.996 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.45 -48.8 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.455 2.103 . . . . 2.37 112.458 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -104.17 159.56 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 1.42 111.23 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.9 m -143.09 170.49 15.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 1.54 110.556 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -51.19 -26.87 5.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.383 -0.372 . . . . 0.65 111.176 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.78 11.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.17 -0.468 . . . . 0.63 111.053 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.03 110.476 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HA ' ' A' ' 42' ' ' CYS . 95.9 t -58.1 -27.22 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 1.1 110.82 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.22 -48.73 73.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 2.29 110.552 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.76 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.45 110.489 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.17 -49.54 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.698 -0.683 . . . . 0.63 110.711 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.712 ' HA ' HG22 ' A' ' 28' ' ' VAL . 28.2 m -67.67 -30.45 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 2.08 110.779 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -64.17 -23.88 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.297 0.57 . . . . 2.43 109.854 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.25 -33.03 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.473 -0.785 . . . . 0.56 111.877 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 25' ' ' VAL . 5.5 m -85.81 -18.49 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.74 0.644 . . . . 0.44 112.74 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.87 -10.24 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.86 0.318 . . . . 1.13 111.86 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.631 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.7 pttt -106.76 -44.93 4.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.346 . . . . 1.48 111.933 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.631 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -123.96 35.57 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.878 0.37 . . . . 0.81 111.635 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.89 -172.52 44.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.791 -0.718 . . . . 0.33 112.91 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 12.0 p -136.91 -41.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 1.33 111.061 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA3' ' NE1' ' A' ' 36' ' ' TRP . . . -179.98 27.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.705 -0.759 . . . . 0.65 112.485 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 41.22 31.89 0.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.775 0.43 . . . . 4.26 111.738 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.42 ' NE1' ' HA3' ' A' ' 34' ' ' GLY . 48.4 m95 -66.92 -43.24 83.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.06 0.457 . . . . 4.61 110.403 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -70.06 -31.59 69.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 3.3 111.022 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.23 -55.64 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.78 110.712 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.584 HG11 HD11 ' A' ' 55' ' ' LEU . 8.7 p -59.77 -32.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.339 -0.391 . . . . 2.01 111.064 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ALA . 26.3 mmmt -64.28 -45.38 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 3.34 111.37 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.08 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.574 -0.285 . . . . 2.44 111.602 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.522 ' HA ' HG21 ' A' ' 21' ' ' VAL . 51.9 t -54.64 -45.48 73.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.407 . . . . 1.36 110.228 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 179.18 25.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.006 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 67.52 12.36 8.85 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.991 -1.114 . . . . 3.34 107.991 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.67 -53.56 5.08 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.447 -1.251 . . . . 2.12 111.324 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -114.25 31.76 6.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 1.46 110.74 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -66.05 0.07 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.56 111.584 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.87 1.16 11.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.635 -0.257 . . . . 2.25 111.195 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 63.2 117.91 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.484 . . . . 5.11 111.101 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -91.91 -64.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 5.96 111.398 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.479 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.9 m -156.77 157.16 34.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.399 -0.364 . . . . 0.99 110.499 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.444 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.56 -45.81 92.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.724 0.268 . . . . 0.59 111.724 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 76.4 t -77.25 -40.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 121.036 -0.266 . . . . 0.46 111.095 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.1 m-20 -60.25 -49.72 76.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.066 0.46 . . . . 0.71 109.945 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.584 HD11 HG11 ' A' ' 39' ' ' VAL . 6.8 tt -58.14 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.058 -0.719 . . . . 1.69 109.058 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 56' ' ' LYS . 5.6 tmmm? -67.02 -27.39 67.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 3.41 110.505 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.25 -48.5 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 2.08 110.583 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -62.86 -36.8 84.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.801 -0.636 . . . . 3.01 110.536 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.456 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -68.24 -44.2 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.82 -0.627 . . . . 0.75 110.54 179.559 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -62.58 -32.75 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 1.68 110.825 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -84.65 -26.84 27.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.628 0.728 . . . . 1.2 109.701 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.499 HD21 HG11 ' A' ' 25' ' ' VAL . 7.5 tp -64.89 -33.58 76.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.804 -1.089 . . . . 1.34 110.3 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 68' ' ' ILE . 17.0 m -89.36 -45.22 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.56 110.384 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.495 ' HB2' HD13 ' A' ' 82' ' ' LEU . 45.1 t60 -52.82 -37.87 60.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.17 -0.468 . . . . 1.52 110.758 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.4 m -81.52 -22.43 37.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 1.74 111.227 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.64 111.461 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -162.29 30.64 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.48 -0.327 . . . . 3.49 111.006 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 63' ' ' VAL . 27.8 mm -62.71 -21.07 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 1.25 110.994 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.6 t 58.45 78.09 0.37 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 1.79 110.767 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.14 4.74 5.94 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.687 2.258 . . . . 1.58 112.579 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -105.07 -42.09 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 3.37 111.066 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 59.0 12.84 2.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.142 -0.481 . . . . 4.29 111.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 57.94 17.06 4.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 5.94 111.054 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -107.59 -38.57 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 8.91 110.979 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.7 112.4 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.884 -0.674 . . . . 3.71 112.478 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -144.27 135.41 12.5 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.419 0.152 . . . . 5.92 110.842 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.54 -85.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.202 1.935 . . . . 1.99 112.478 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.2 t -87.67 129.42 50.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 1.82 110.903 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.495 ' HB2' HD11 ' A' ' 82' ' ' LEU . 71.1 Cg_endo -74.26 94.0 0.9 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.356 2.037 . . . . 1.05 112.598 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -96.45 -26.38 15.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 2.18 110.953 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -48.31 -36.14 13.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 1.84 111.832 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -63.15 -59.59 4.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 1.5 110.798 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.34 -35.53 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.74 110.983 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.8 -51.27 65.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 1.33 111.216 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -69.89 -19.82 63.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 2.4 111.289 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 82' ' ' LEU . 38.4 t -72.35 -61.6 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 0.55 110.887 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.72 -25.67 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 1.24 110.717 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.87 -52.2 11.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 1.18 110.552 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.31 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.27 111.245 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -54.16 -55.59 26.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.165 0.507 . . . . 1.32 110.481 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.48 -33.36 62.08 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.757 . . . . 0.34 111.861 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.54 -40.3 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.577 0.227 . . . . 0.4 110.69 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 34.5 m0 -58.03 -57.58 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.056 0.455 . . . . 0.42 110.176 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.7 p -64.75 -50.04 68.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.586 -0.734 . . . . 0.5 112.178 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -64.69 -63.33 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 2.24 111.854 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.46 ' HG3' ' HA ' ' A' ' 99' ' ' GLN . 6.9 tp60 -58.92 -21.06 57.23 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.922 -0.311 . . . . 3.17 110.901 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 56.53 54.23 7.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 2.39 110.925 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 68.6 mtm 55.36 31.67 17.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.033 -0.531 . . . . 2.74 111.086 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.495 ' HB2' ' HB3' ' A' ' 102' ' ' GLN . 48.6 mt-30 60.05 33.24 21.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 5.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 64.75 60.4 0.86 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 5.86 111.106 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.9 mt 53.83 23.79 4.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 4.78 111.797 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.631 ' HG2' ' H ' ' A' ' 104' ' ' ASN . 36.0 tt0 -68.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 5.82 110.691 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 58.05 18.5 5.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 5.22 111.253 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.631 ' H ' ' HG2' ' A' ' 102' ' ' GLN . 77.5 m-20 -98.01 80.04 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 5.65 110.879 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 105' ' ' VAL . 2.5 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.529 -0.748 . . . . 4.19 111.273 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.877 0.37 . . . . 8.02 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -108.11 14.21 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 10.69 110.777 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -80.73 134.88 35.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 8.17 111.013 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -112.89 153.32 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 6.48 110.852 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.585 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 4.9 tpm_? 65.36 116.02 0.03 OUTLIER 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.242 -0.435 . . . . 7.85 110.866 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.775 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 66.6 ttt180 -152.32 -51.45 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.244 -0.434 . . . . 8.66 112.169 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.775 ' HD2' ' H ' ' A' ' 14' ' ' ARG . 47.3 Cg_endo -71.06 -63.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.821 1.681 . . . . 2.37 112.716 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -104.06 167.57 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.948 0.404 . . . . 1.42 111.159 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -177.45 176.3 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.689 -0.687 . . . . 1.54 110.066 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.64 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.936 0.398 . . . . 0.65 110.591 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.96 88.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.617 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.73 -41.15 92.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.03 110.015 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 25' ' ' VAL . 61.4 t -51.74 -35.23 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.793 -0.639 . . . . 1.1 110.56 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.6 tm-20 -51.5 -50.24 60.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.159 -0.473 . . . . 2.29 110.013 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.56 92.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.45 109.821 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.41 -29.65 64.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.468 -0.787 . . . . 0.63 110.126 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.499 ' HA ' HG22 ' A' ' 28' ' ' VAL . 56.5 t -70.38 -41.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 2.08 110.259 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.16 -21.53 66.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 2.43 110.396 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.54 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.939 -0.573 . . . . 0.56 111.966 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.86 -18.01 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 112.783 0.66 . . . . 0.44 112.783 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.84 -10.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.034 0.383 . . . . 1.13 112.034 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.601 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -102.21 -47.7 4.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.72 0.266 . . . . 1.48 111.72 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.601 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.9 pp -116.08 32.02 6.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 0.81 111.494 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.28 179.7 32.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.33 112.831 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.5 m -154.91 -41.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.33 110.958 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -172.8 22.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.65 112.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.496 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 3.8 ptm180 44.61 26.24 0.18 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.667 0.387 . . . . 4.26 111.627 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -53.68 -43.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.042 0.448 . . . . 4.61 110.652 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.5 -31.3 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 3.3 110.994 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.4 m-20 -67.47 -57.87 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.78 110.614 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.603 HG21 HD12 ' A' ' 55' ' ' LEU . 7.2 p -57.66 -31.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 2.01 110.849 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -64.28 -50.49 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 3.34 111.583 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.8 tp -113.3 26.02 10.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.827 0.306 . . . . 2.44 111.827 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 53.0 t -52.86 -45.11 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 1.36 109.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB3' ' HG2' ' A' ' 45' ' ' GLU . . . 173.96 28.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.624 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 64.78 14.9 9.48 Favored 'General case' 0 CA--C 1.513 -0.481 0 N-CA-C 108.029 -1.1 . . . . 3.34 108.029 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 16.1 mm-40 -85.34 -53.14 5.41 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.356 -1.293 . . . . 2.12 111.204 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.91 27.31 9.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 1.46 110.871 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -4.05 3.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.494 . . . . 1.56 111.338 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -101.61 -17.09 16.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 2.25 110.736 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 62.07 105.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.926 -0.579 . . . . 5.11 111.326 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -78.79 -80.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 5.96 110.88 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.6 p -146.65 176.62 9.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.486 -0.325 . . . . 0.99 110.937 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.44 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -60.32 -46.06 91.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.59 111.906 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.44 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 92.8 t -76.23 -47.61 30.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.121 -0.232 . . . . 0.46 111.043 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -48.28 67.59 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.71 110.362 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 39' ' ' VAL . 5.4 tt -62.19 -40.05 94.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 1.69 109.597 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.19 -21.24 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 3.41 110.614 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.53 -44.75 41.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 2.08 110.284 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HB2' ' NZ ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -65.25 -29.34 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 3.01 110.134 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.458 ' CH2' HG13 ' A' ' 25' ' ' VAL . 2.2 t-105 -78.61 -49.55 13.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.75 110.331 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HA ' HG21 ' A' ' 86' ' ' VAL . 6.7 tmtt? -56.68 -34.27 67.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 1.68 110.682 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.2 m -83.79 -26.3 29.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 1.2 109.847 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tp -64.1 -31.99 73.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.205 -0.907 . . . . 1.34 110.208 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 68' ' ' ILE . 18.0 m -89.93 -44.84 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 0.56 110.452 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.454 ' CG ' HD13 ' A' ' 82' ' ' LEU . 34.4 t60 -55.38 -33.78 63.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.135 0.493 . . . . 1.52 110.733 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.1 t -78.64 -22.81 46.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 1.74 111.556 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.42 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.471 -0.331 . . . . 0.64 111.489 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -162.73 36.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 3.49 110.891 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 63' ' ' VAL . 27.5 mm -62.78 -23.45 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 1.25 110.88 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.0 m 56.43 76.08 0.52 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 1.79 110.837 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.17 -29.55 4.01 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.659 2.239 . . . . 1.58 112.403 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.481 ' C ' ' H ' ' A' ' 73' ' ' ARG . 46.5 mt-30 -81.45 -48.57 11.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 3.37 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 69.25 -19.17 0.18 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.865 -0.607 . . . . 4.29 111.775 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 71' ' ' GLN . 86.0 mtm180 -148.9 -78.96 0.14 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.766 0.317 . . . . 5.94 110.933 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -141.11 -67.0 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 8.91 110.999 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.09 174.67 20.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.866 -0.683 . . . . 3.71 112.507 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -163.9 153.83 12.78 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.437 0.16 . . . . 5.92 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -71.62 -85.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.397 2.064 . . . . 1.99 112.12 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.36 136.54 28.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 1.82 110.954 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.679 ' HB2' HD11 ' A' ' 82' ' ' LEU . 80.8 Cg_endo -78.1 75.12 4.99 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.428 2.085 . . . . 1.05 112.629 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -96.26 -25.6 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 2.18 110.71 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -52.23 -35.86 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 1.84 111.783 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -64.93 -59.79 3.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.537 -0.301 . . . . 1.5 110.901 -179.505 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.88 -24.86 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.74 111.078 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.76 -51.04 45.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 1.33 110.473 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.84 -20.07 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 2.4 110.554 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 82' ' ' LEU . 13.3 t -73.86 -57.88 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 0.55 110.657 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.78 -29.45 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.24 110.355 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.24 -46.98 53.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 1.18 110.405 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.64 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 0.27 111.341 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.48 -53.28 59.96 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 1.32 110.593 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.49 50.61 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.528 -0.76 . . . . 0.34 111.879 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.85 -41.09 95.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.4 110.34 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -56.22 -57.58 11.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.42 110.671 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -67.81 -48.08 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.5 112.438 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -64.17 -60.74 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 2.24 111.696 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.425 HE21 ' HG2' ' A' ' 99' ' ' GLN . 7.5 tp60 -60.52 -22.87 64.07 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.076 -0.25 . . . . 3.17 111.064 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 58.39 48.49 12.23 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.357 -0.383 . . . . 2.39 110.954 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.7 mtt 57.38 29.08 16.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 2.74 110.944 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.425 ' HG2' HE21 ' A' ' 96' ' ' GLN . 93.7 mt-30 61.57 30.61 18.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.171 -0.468 . . . . 5.0 110.942 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 60.97 14.86 5.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.05 -0.523 . . . . 5.86 110.941 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.2 mt 55.1 44.09 28.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.064 -0.517 . . . . 4.78 110.993 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -55.35 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 5.82 111.019 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -170.22 -70.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.313 -0.403 . . . . 5.22 110.883 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.58 75.66 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 5.65 110.635 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.417 ' OXT' HG13 ' A' ' 105' ' ' VAL . 3.6 p . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.058 -0.972 . . . . 4.19 111.187 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.824 0.345 . . . . 8.02 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 59.01 17.89 5.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.067 -0.515 . . . . 10.69 111.02 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -111.84 137.22 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 8.17 111.018 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -99.75 -75.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 6.48 110.929 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -144.87 -161.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 7.85 110.803 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -61.29 126.46 86.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 8.66 110.806 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.97 -44.13 1.01 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.321 2.014 . . . . 2.37 112.357 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.09 163.14 21.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.42 110.909 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 80.0 p -156.88 176.46 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 1.54 110.72 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.49 -31.87 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.244 -0.435 . . . . 0.65 111.474 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.08 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.63 111.108 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.46 -41.56 88.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 2.03 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG21 ' SG ' ' A' ' 42' ' ' CYS . 61.8 t -57.47 -31.12 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.1 110.81 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -49.0 -58.35 5.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 2.29 110.114 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.19 86.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.45 109.935 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.64 -28.98 66.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.7 -0.682 . . . . 0.63 110.377 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 28' ' ' VAL . 54.4 t -75.35 -38.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 2.08 110.306 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.47 -22.55 66.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.021 -0.536 . . . . 2.43 110.65 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.41 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 0.56 112.063 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.58 -18.09 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 112.615 0.598 . . . . 0.44 112.615 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -58.2 -10.46 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.782 0.29 . . . . 1.13 111.782 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 59.4 pttt -107.48 -47.73 3.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.676 0.25 . . . . 1.48 111.676 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -110.25 28.7 8.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.882 0.372 . . . . 0.81 111.448 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.57 -178.64 25.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.883 -0.675 . . . . 0.33 112.822 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 p -145.38 -49.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.33 111.236 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.01 22.04 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.917 -0.659 . . . . 0.65 112.316 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 42.56 24.59 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.817 0.447 . . . . 4.26 111.816 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -71.11 -44.72 65.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 4.61 111.079 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.02 -34.5 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.927 0.394 . . . . 3.3 111.263 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -67.51 -62.41 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.78 111.454 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.596 HG11 ' HG ' ' A' ' 55' ' ' LEU . 43.6 t -57.04 -38.49 60.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 2.01 111.836 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.35 -33.68 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 3.34 111.17 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.22 18.77 18.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.721 0.296 . . . . 2.44 111.1 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 21' ' ' VAL . 17.0 t -51.99 -50.25 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 1.36 110.514 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 178.31 29.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.703 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.2 t80 69.21 15.92 8.55 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 107.703 -1.221 . . . . 3.34 107.703 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.2 -54.13 6.58 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.088 -1.415 . . . . 2.12 110.558 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.53 ' HB3' HG12 ' A' ' 39' ' ' VAL . 15.9 t70 -119.2 25.2 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.018 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -22.1 60.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.942 -0.572 . . . . 1.56 111.369 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.38 -7.65 59.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 2.25 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.8 p80 37.0 90.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.679 -0.691 . . . . 5.11 112.1 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -60.41 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 5.96 111.125 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.508 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -150.1 179.65 7.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.425 . . . . 0.99 110.68 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' H ' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -64.13 -46.49 83.93 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.74 0.274 . . . . 0.59 111.74 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.436 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 89.3 t -79.21 -37.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.683 0.278 . . . . 0.46 110.96 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.418 . . . . 0.71 110.286 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.596 ' HG ' HG11 ' A' ' 39' ' ' VAL . 8.2 tt -65.24 -50.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 1.69 110.013 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -27.36 66.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.204 -0.453 . . . . 3.41 109.824 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.23 -49.66 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 2.08 109.941 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -57.78 -29.18 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.707 -0.678 . . . . 3.01 109.88 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.404 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.6 t-105 -73.93 -48.51 30.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.572 -0.74 . . . . 0.75 110.213 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.499 ' HE3' HD13 ' A' ' 82' ' ' LEU . 27.9 ttpt -57.3 -30.89 65.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.876 -0.602 . . . . 1.68 110.662 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.5 m -83.4 -26.97 29.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 1.2 110.096 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -32.28 73.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.462 -0.79 . . . . 1.34 110.208 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.4 m -90.06 -43.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 0.56 111.295 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -60.27 -29.88 69.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.992 0.425 . . . . 1.52 110.597 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.6 t -80.7 -23.18 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.907 -0.588 . . . . 1.74 111.385 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.58 -84.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.64 111.443 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -159.96 18.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 3.49 111.017 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.423 HD12 ' CZ ' ' A' ' 85' ' ' ARG . 49.5 mm -63.14 -24.18 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 1.25 110.792 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.3 t 54.44 65.99 4.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 1.79 111.108 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.482 ' HB2' ' HB3' ' A' ' 79' ' ' PRO . 81.2 Cg_endo -78.29 -1.72 11.86 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.56 2.173 . . . . 1.58 112.287 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -64.93 -46.68 80.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 3.37 110.734 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 54.52 30.09 12.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.034 -0.53 . . . . 4.29 110.761 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 61.89 -166.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 5.94 110.74 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -76.64 7.03 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 8.91 111.044 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.62 -65.23 2.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 3.71 112.549 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.31 144.75 32.8 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.525 0.202 . . . . 5.92 110.853 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.56 -87.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.381 2.054 . . . . 1.99 112.699 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.19 134.65 34.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 1.82 111.156 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.482 ' HB3' ' HB2' ' A' ' 70' ' ' PRO . 11.6 Cg_exo -71.27 100.28 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.588 2.192 . . . . 1.05 112.175 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -96.72 -22.1 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 2.18 110.766 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.577 -0.738 . . . . 1.84 111.608 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' H ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -60.07 -36.07 76.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.661 0.267 . . . . 1.5 111.565 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.737 ' H ' HD12 ' A' ' 82' ' ' LEU . 25.5 mt -76.42 -41.37 47.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.74 111.375 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -67.47 -38.86 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 1.33 111.52 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.423 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 12.0 ptm85 -74.31 -36.18 63.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 2.4 111.729 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.498 HG21 ' HG3' ' A' ' 60' ' ' LYS . 25.9 t -73.42 -44.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.675 0.274 . . . . 0.55 111.312 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.23 -33.1 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.999 0.428 . . . . 1.24 110.444 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.3 -53.7 13.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 1.18 110.663 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.23 -43.7 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 0.27 111.032 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 11.1 t-160 -61.02 -55.09 36.95 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.076 0.465 . . . . 1.32 110.287 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.06 -32.87 50.33 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.34 111.651 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLN . 16.8 t80 -63.82 -46.97 82.72 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.187 -0.301 . . . . 0.4 110.187 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -54.78 -60.1 3.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.058 0.456 . . . . 0.42 110.341 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -56.11 -40.99 74.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.568 -0.742 . . . . 0.5 111.392 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -80.77 -9.6 59.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 2.24 110.761 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' TYR . 7.9 tp-100 -83.84 -25.04 30.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 3.17 109.947 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 69.49 14.24 8.35 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.447 -0.797 . . . . 2.39 110.784 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 21.9 ttt 53.82 19.74 2.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.045 -0.525 . . . . 2.74 111.06 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -90.22 -10.94 42.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 5.0 111.06 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 56.84 27.55 13.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.197 -0.456 . . . . 5.86 110.903 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -54.97 -41.28 70.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 4.78 110.741 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -89.59 122.39 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 5.82 110.977 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -96.81 -3.85 41.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 5.22 111.005 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -77.66 80.64 4.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 5.65 110.803 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 105' ' ' VAL . 2.5 p . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.557 -0.735 . . . . 4.19 111.142 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 8.02 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 58.68 20.55 7.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.095 -0.502 . . . . 10.69 111.142 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -96.11 106.16 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 8.17 110.743 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 12' ' ' ILE . 4.1 mp -95.78 128.48 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 6.48 110.956 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -110.31 -170.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 7.85 110.658 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -93.71 137.82 23.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 8.66 110.875 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.05 0.43 9.88 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.397 2.064 . . . . 2.37 112.465 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.61 128.4 36.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 1.42 111.184 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.6 m -136.09 -174.49 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.846 -0.615 . . . . 1.54 110.349 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.16 -23.57 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 0.65 111.013 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.21 13.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 0.63 110.643 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.22 -33.78 73.84 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.08 0.467 . . . . 2.03 110.017 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 17' ' ' SER . 96.2 t -55.76 -25.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 1.1 110.605 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -52.82 -53.96 41.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.045 0.45 . . . . 2.29 110.377 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.29 82.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.606 . . . . 0.45 110.612 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.8 tp -54.4 -60.17 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.843 -0.617 . . . . 0.63 110.732 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 28' ' ' VAL . 31.8 m -61.81 -26.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 2.08 110.833 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -68.07 -23.49 64.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 2.43 109.742 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.22 -29.43 20.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.464 -0.789 . . . . 0.56 111.263 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 25' ' ' VAL . 4.0 m -85.75 -19.35 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 112.343 0.497 . . . . 0.44 112.343 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.27 -10.18 14.86 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.081 -0.248 . . . . 1.13 111.589 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -107.5 -40.42 5.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.937 0.347 . . . . 1.48 111.937 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -122.55 29.49 6.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.824 0.345 . . . . 0.81 111.678 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.77 -170.98 45.16 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.773 -0.727 . . . . 0.33 112.772 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.553 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 47.7 m -146.36 -33.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.633 0.254 . . . . 1.33 111.311 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.95 26.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.702 -0.761 . . . . 0.65 112.717 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 41.18 27.5 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.77 0.428 . . . . 4.26 111.813 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.553 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 42.9 p-90 -73.57 -43.09 60.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 4.61 111.01 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.16 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.16 0.505 . . . . 3.3 110.158 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.8 m-20 -66.6 -56.53 10.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.651 -0.704 . . . . 0.78 110.972 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -57.36 -29.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 2.01 111.417 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -69.63 -49.37 54.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.479 -0.328 . . . . 3.34 111.66 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.18 25.58 11.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.841 0.311 . . . . 2.44 111.841 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 21' ' ' VAL . 48.3 t -52.75 -47.17 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 1.36 109.862 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.13 27.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.242 -0.89 . . . . 1.0 110.775 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 66.08 13.05 8.9 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.256 -1.016 . . . . 3.34 108.256 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -85.82 -48.76 8.47 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.646 -1.161 . . . . 2.12 111.121 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.81 26.34 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 1.46 110.818 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -15.72 59.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 1.56 110.994 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.03 -7.19 36.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 2.25 110.789 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 62.97 105.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.854 -0.612 . . . . 5.11 111.16 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 7.1 tpm_? -83.48 -67.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 5.96 110.961 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 14.3 m -156.3 154.03 30.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.99 110.612 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.447 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -62.18 -45.48 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.043 0.386 . . . . 0.59 112.043 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.5 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 89.9 t -78.06 -33.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.081 -0.248 . . . . 0.46 111.276 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -67.88 -44.99 75.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.018 0.437 . . . . 0.71 110.447 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 55' ' ' LEU . 2.3 tm? -64.85 -53.62 43.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 1.69 109.969 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -56.62 -28.5 60.61 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.573 -0.529 . . . . 3.41 109.573 179.266 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 14.4 t70 -63.71 -44.39 93.78 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.415 -0.587 . . . . 2.08 109.415 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -59.15 -32.42 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.53 -0.759 . . . . 3.01 110.07 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.418 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -82.64 -30.76 29.15 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.85 -0.613 . . . . 0.75 109.904 179.247 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -68.36 -38.06 81.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.326 -0.852 . . . . 1.68 110.157 179.25 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.9 t -82.69 -26.85 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.599 -0.728 . . . . 1.2 109.328 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -59.65 -44.35 93.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.108 -0.951 . . . . 1.34 109.143 178.547 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.456 ' N ' HD13 ' A' ' 62' ' ' LEU . 17.4 m -80.16 -44.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 0.56 110.783 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.501 ' HB2' HD13 ' A' ' 82' ' ' LEU . 2.0 t60 -54.61 -34.46 62.08 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.159 -0.473 . . . . 1.52 111.143 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.6 m -90.79 -17.24 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 1.74 111.263 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.62 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.64 111.504 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -148.96 15.36 0.94 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.496 -0.32 . . . . 3.49 111.205 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.9 mm -60.77 -26.2 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.392 -0.367 . . . . 1.25 110.843 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.4 t 47.29 64.09 9.09 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.984 -0.553 . . . . 1.79 111.315 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.22 4.07 6.55 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.599 2.199 . . . . 1.58 112.301 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -105.05 16.63 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 3.37 110.92 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -56.99 -26.77 60.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 4.29 110.831 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 63.02 118.57 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.863 -0.608 . . . . 5.94 111.612 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -141.21 8.52 2.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.911 -0.586 . . . . 8.91 110.565 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.51 45.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.955 -0.641 . . . . 3.71 112.052 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 56.34 56.93 9.29 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.711 0.291 . . . . 5.92 110.846 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.82 -163.65 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.553 2.168 . . . . 1.99 112.433 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -134.19 143.2 46.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 1.82 110.765 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.651 ' HB2' HD11 ' A' ' 82' ' ' LEU . 73.7 Cg_endo -75.59 76.21 3.7 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.379 2.053 . . . . 1.05 112.453 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -96.54 -28.93 14.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.06 -0.518 . . . . 2.18 110.721 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -51.47 -37.48 49.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 1.84 111.909 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.651 HD11 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -66.35 -57.6 7.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.582 -0.281 . . . . 1.5 111.171 -179.281 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.64 -33.27 69.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 0.74 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.1 -52.13 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 1.33 111.024 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 85' ' ' ARG . 11.3 ptp180 -68.87 -19.74 64.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 2.4 111.189 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 82' ' ' LEU . 41.7 t -70.38 -62.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.347 -0.388 . . . . 0.55 110.924 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.17 -19.45 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 1.24 110.779 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -77.23 -54.4 6.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 1.18 110.399 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 0.27 110.955 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -61.66 -55.63 28.44 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.127 0.489 . . . . 1.32 110.181 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.3 -29.45 63.11 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.697 -0.763 . . . . 0.34 111.645 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.478 ' O ' ' N ' ' A' ' 96' ' ' GLN . 22.5 t80 -64.62 -47.39 78.75 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 110.396 -0.224 . . . . 0.4 110.396 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 16.5 m0 -57.41 -57.5 12.39 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.249 0.547 . . . . 0.42 109.944 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -55.12 -36.45 65.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.375 -0.829 . . . . 0.5 111.155 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -89.24 -7.47 55.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 2.24 110.79 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 92' ' ' TYR . 60.4 tt0 -80.91 -28.93 35.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 3.17 110.196 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.456 ' C ' ' H ' ' A' ' 99' ' ' GLN . 77.9 mt-30 69.31 34.18 3.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.523 -0.762 . . . . 2.39 111.002 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.4 tpt 71.95 -21.68 0.22 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.956 -0.565 . . . . 2.74 111.581 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' A' ' 97' ' ' GLN . 6.5 tp-100 -165.98 85.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 5.0 110.58 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.417 ' HG3' ' H ' ' A' ' 103' ' ' GLN . 3.6 pt20 -60.06 144.97 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 5.86 110.925 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 101' ' ' LEU . 7.2 mp -77.42 5.3 9.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 4.78 110.913 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.534 ' HG3' ' HB2' ' A' ' 104' ' ' ASN . 24.3 tp60 -84.79 -43.92 13.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 5.82 110.815 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' H ' ' HG3' ' A' ' 100' ' ' GLN . 52.6 tt0 63.98 8.61 4.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.099 -0.501 . . . . 5.22 111.206 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.534 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 3.4 m-20 -114.68 77.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 5.65 110.803 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.303 -0.856 . . . . 4.19 111.005 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 10' ' ' ARG . 11.8 pt20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.66 0.267 . . . . 8.02 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 17.5 ptp180 -170.71 24.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.399 . . . . 10.69 110.947 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -86.36 129.8 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 8.17 110.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -138.41 138.88 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 6.48 110.821 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' HD13 ' A' ' 12' ' ' ILE . 24.1 tpp180 -113.0 126.8 55.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 7.85 110.738 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HG3' ' HG3' ' A' ' 13' ' ' ARG . 99.1 mtt180 57.89 84.77 0.2 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.017 -0.538 . . . . 8.66 110.973 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.72 -41.01 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.501 2.134 . . . . 2.37 112.646 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -107.13 159.79 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 1.42 111.366 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p -169.1 -175.06 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.689 -0.687 . . . . 1.54 110.217 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.92 -33.23 15.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.871 0.367 . . . . 0.65 110.73 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.17 84.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 0.63 110.524 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.38 -36.46 81.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.029 -0.532 . . . . 2.03 109.983 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.1 t -54.17 -34.34 26.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.808 -0.633 . . . . 1.1 110.496 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 39.7 tt0 -48.58 -56.13 9.25 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.107 0.48 . . . . 2.29 110.244 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.72 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.45 109.881 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.58 -28.94 66.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.584 -0.735 . . . . 0.63 110.111 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.534 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.8 t -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 2.08 110.213 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -65.21 -23.24 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 2.43 110.203 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.69 -37.09 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 0.56 112.231 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 25' ' ' VAL . 31.1 m -85.75 -18.18 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.642 0.608 . . . . 0.44 112.642 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.09 -10.36 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.894 0.331 . . . . 1.13 111.894 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.575 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.0 ptpt -107.35 -47.78 3.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.891 0.33 . . . . 1.48 111.891 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.8 pp -114.27 31.98 6.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 0.81 111.62 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.17 -175.86 43.23 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.721 -0.752 . . . . 0.33 112.681 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.546 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 59.7 m -151.32 -43.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 1.33 110.918 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.88 20.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.807 -0.711 . . . . 0.65 112.411 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 59' ' ' TRP . 1.4 ptm180 45.0 21.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 122.821 0.448 . . . . 4.26 111.575 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.546 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 11.4 p-90 -58.35 -45.24 88.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 4.61 110.852 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 16.0 ptm180 -65.26 -28.81 69.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 3.3 110.519 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.56 -60.18 3.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.78 110.724 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG11 HD13 ' A' ' 55' ' ' LEU . 19.0 m -57.46 -26.96 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 2.01 110.721 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 88.9 mttt -64.54 -52.5 57.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 3.34 111.167 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.0 24.69 12.11 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.803 0.297 . . . . 2.44 111.803 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.87 -46.06 78.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 1.36 110.296 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -177.03 24.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 1.0 111.153 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.416 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER 72.2 4.95 5.18 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.457 -0.942 . . . . 3.34 108.457 -179.457 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -81.35 -54.4 5.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.705 -1.134 . . . . 2.12 111.496 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -101.45 25.5 8.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 1.46 110.782 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.44 -3.71 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 1.56 111.32 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.25 -5.55 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 2.25 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 62.97 114.22 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.068 -0.514 . . . . 5.11 111.169 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.21 -69.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 5.96 111.223 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -158.14 155.94 30.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.99 110.352 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.449 ' HD1' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -58.84 -47.54 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.769 0.285 . . . . 0.59 111.769 -179.412 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.424 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 78.4 t -77.32 -43.04 31.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.054 -0.259 . . . . 0.46 111.012 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.52 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.3 m-20 -57.74 -51.49 69.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.71 110.383 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.585 HD13 HG11 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -61.63 -34.98 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 1.69 109.236 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HD3' HG11 ' A' ' 86' ' ' VAL . 6.0 tmmm? -67.29 -29.81 69.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.734 -0.666 . . . . 3.41 109.963 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -68.27 -46.2 71.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.194 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.52 -30.75 70.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.13 0.49 . . . . 3.01 109.713 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.524 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -71.25 -45.6 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.771 . . . . 0.75 110.0 179.234 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.588 ' HD2' ' HG ' ' A' ' 83' ' ' LEU . 1.5 ttpm? -56.18 -33.59 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.676 -0.693 . . . . 1.68 110.385 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.7 m -85.11 -28.03 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.778 -0.646 . . . . 1.2 109.626 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.524 ' HB3' ' HA ' ' A' ' 59' ' ' TRP . 4.7 tp -64.01 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.031 -0.986 . . . . 1.34 110.145 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -90.16 -43.66 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 0.56 110.658 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.477 ' HB2' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -57.96 -33.93 69.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 1.52 110.801 179.292 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.8 t -74.04 -21.93 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 1.74 111.535 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.94 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.64 111.303 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -165.21 23.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 3.49 111.135 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.29 -29.05 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 1.25 110.765 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.9 m 45.92 66.51 5.31 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.899 -0.591 . . . . 1.79 111.489 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HG3' ' ND1' ' A' ' 64' ' ' HIS . 72.6 Cg_endo -78.29 -20.18 11.36 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.512 2.142 . . . . 1.58 112.212 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -66.4 -37.19 84.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 3.37 110.946 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 62.31 7.46 2.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.121 -0.491 . . . . 4.29 111.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.473 ' HG2' ' HG2' ' A' ' 74' ' ' ARG . 37.4 ttm180 -172.65 -74.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 5.94 110.792 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.473 ' HG2' ' HG2' ' A' ' 73' ' ' ARG . 16.7 ptm180 -166.48 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 8.91 110.943 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.7 158.73 39.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 3.71 112.468 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -127.82 84.36 63.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.71 0.291 . . . . 5.92 111.067 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.72 -86.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.366 2.044 . . . . 1.99 112.277 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG12 ' HG3' ' A' ' 80' ' ' GLN . 41.9 t -130.33 91.73 37.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 1.82 110.842 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.501 ' HB2' HD11 ' A' ' 82' ' ' LEU . 58.9 Cg_endo -71.98 92.46 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.406 2.071 . . . . 1.05 112.416 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' HG3' HG12 ' A' ' 78' ' ' VAL . 97.6 mt-30 -96.28 -25.62 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 2.18 110.958 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -50.77 -38.97 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 1.84 111.726 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -68.57 -58.68 3.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.489 -0.323 . . . . 1.5 110.954 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.588 ' HG ' ' HD2' ' A' ' 60' ' ' LYS . 25.6 mt -56.31 -25.81 49.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.74 110.869 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -72.12 -49.66 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 1.33 110.836 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.43 -19.99 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 2.4 111.131 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 82' ' ' LEU . 46.9 t -76.46 -57.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.55 110.97 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.19 -26.95 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 1.24 110.595 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -75.46 -56.69 4.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 1.18 110.766 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.33 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.27 111.16 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -59.18 -55.39 35.56 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.178 0.513 . . . . 1.32 110.407 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.12 -31.53 59.08 Favored Glycine 0 C--O 1.225 -0.46 0 CA-C-N 115.491 -0.777 . . . . 0.34 111.796 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.06 -40.28 87.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.705 0.288 . . . . 0.4 110.232 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.526 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 41.1 m0 -58.72 -54.5 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.382 . . . . 0.42 110.426 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -68.06 -48.57 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.5 112.133 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -67.43 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.398 . . . . 2.24 112.007 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -63.85 -20.04 65.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 3.17 111.168 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 57.9 69.87 0.7 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 2.39 110.916 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.0 ptm 38.87 40.67 0.45 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.867 -0.606 . . . . 2.74 111.444 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 58.24 68.28 0.85 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.575 . . . . 5.0 110.644 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 60.37 -178.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.863 -0.608 . . . . 5.86 111.134 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.8 tp -64.32 -29.82 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 4.78 110.888 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -67.65 118.18 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 5.82 110.899 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.67 2.71 52.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 5.22 110.896 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -79.13 80.38 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 5.65 110.794 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.536 -0.745 . . . . 4.19 111.323 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.8 p . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.543 0.211 . . . . 1.35 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -51.84 -32.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.388 . . . . 0.44 110.948 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.64 75.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.116 -0.493 . . . . 0.37 110.513 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.08 -35.38 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.809 -0.632 . . . . 2.51 110.19 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 25' ' ' VAL . 94.3 t -55.38 -34.45 34.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.88 -0.6 . . . . 0.42 110.596 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -48.69 -58.38 4.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.23 -0.441 . . . . 2.37 110.321 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.1 78.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.35 109.909 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.58 -29.8 68.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 0.54 110.251 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 21' ' ' VAL . 75.4 t -70.13 -42.38 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 116.149 -0.478 . . . . 1.22 110.24 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.78 -22.25 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 1.65 110.671 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.79 -37.61 16.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 0.44 112.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.46 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.7 m -85.69 -18.04 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 112.773 0.657 . . . . 0.33 112.773 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.38 -10.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.959 0.355 . . . . 0.73 111.959 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 57.7 pttt -106.54 -47.75 3.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.711 0.263 . . . . 1.78 111.711 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -111.26 32.35 5.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.99 111.34 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.7 168.79 42.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.834 -0.698 . . . . 0.31 112.734 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.8 p -143.14 -36.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 1.39 111.022 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.95 28.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.759 -0.734 . . . . 0.48 112.591 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.604 HH12 ' HZ1' ' A' ' 56' ' ' LYS . 11.7 ptp85 42.94 30.46 0.25 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.719 0.408 . . . . 4.45 111.711 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -63.78 -45.46 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.119 0.485 . . . . 3.87 110.378 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -71.5 -31.19 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.609 . . . . 3.51 110.685 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.1 -51.48 45.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.19 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.504 HG23 HD13 ' A' ' 55' ' ' LEU . 8.7 p -63.09 -31.97 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 1.61 111.213 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -67.98 -45.32 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 2.16 111.562 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.16 25.13 11.63 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.874 0.324 . . . . 1.94 111.874 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.2 t -54.43 -46.2 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.02 109.882 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.87 27.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.133 -0.939 . . . . 0.84 110.637 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.94 13.02 8.82 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 108.204 -1.036 . . . . 3.45 108.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.98 -54.03 4.74 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.517 -1.22 . . . . 2.1 111.447 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.14 27.25 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.83 110.9 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.71 -6.31 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.98 111.246 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -108.88 -5.5 16.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.375 . . . . 2.33 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 61.5 m80 63.32 111.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.066 -0.515 . . . . 3.59 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -94.46 -69.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 5.44 111.135 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 10.7 m -150.66 153.03 34.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 1.01 110.823 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.021 0.378 . . . . 0.57 112.021 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 99.0 t -78.19 -35.7 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.869 -0.332 . . . . 0.4 110.999 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.422 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 0.9 OUTLIER -56.77 -53.38 58.42 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.643 -0.503 . . . . 0.65 109.643 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 39' ' ' VAL . 15.8 tp -62.8 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 1.81 109.4 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HZ1' HH12 ' A' ' 35' ' ' ARG . 16.6 tppt? -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.446 -0.797 . . . . 2.86 110.348 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.8 -44.66 55.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.977 -0.556 . . . . 2.04 110.37 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.3 -29.03 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.551 -0.75 . . . . 2.38 111.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.472 ' CZ3' HG22 ' A' ' 25' ' ' VAL . 3.5 t-105 -80.17 -51.93 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.57 110.059 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.4 ttpm? -54.64 -33.39 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 1.06 111.081 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.4 t -82.44 -30.42 30.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.96 0.41 . . . . 0.97 110.337 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -33.37 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.682 -0.69 . . . . 1.27 110.236 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.8 m -90.17 -41.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 0.47 111.12 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -61.75 -29.33 70.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.897 0.379 . . . . 1.24 110.578 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.2 t -81.15 -17.24 50.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 1.18 111.434 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.19 -87.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.259 -0.428 . . . . 0.84 111.386 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.48 -0.327 . . . . 3.29 111.245 -179.649 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.888 0.375 . . . . 3.3 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -51.15 -47.9 61.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 2.78 111.604 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -57.71 -29.99 65.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.633 -0.258 . . . . 1.25 111.524 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 82' ' ' LEU . 27.6 mt -79.65 -39.14 32.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.943 0.401 . . . . 0.57 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 7.0 t30 -69.37 -35.49 75.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.023 -0.535 . . . . 1.44 111.213 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 85' ' ' ARG . 13.8 ptm180 -78.74 -34.95 45.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 2.17 111.764 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 60' ' ' LYS . 13.3 p -68.94 -45.88 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.91 -0.316 . . . . 0.77 111.083 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.448 ' N ' HG13 ' A' ' 86' ' ' VAL . 7.0 mp -70.35 -33.2 71.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 1.21 110.845 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 40.8 t-20 -69.61 -43.89 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 1.17 110.098 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.74 -57.53 12.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 0.31 111.288 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -59.16 -55.09 39.39 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.976 0.417 . . . . 0.64 110.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -52.77 -33.59 42.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.872 -0.68 . . . . 0.31 111.962 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -65.39 -48.42 72.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.67 -0.122 . . . . 0.34 110.67 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.05 -60.63 2.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 0.32 110.371 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.5 p -57.77 -48.29 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.529 -0.76 . . . . 0.53 111.498 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 1.95 111.025 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.527 0.203 . . . . 1.35 110.648 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -50.26 -34.69 11.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.319 -0.4 . . . . 0.44 111.149 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.79 82.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.37 111.002 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.1 -34.75 73.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.049 -0.523 . . . . 2.51 110.296 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 25' ' ' VAL . 97.4 t -54.83 -35.4 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.928 -0.578 . . . . 0.42 110.596 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.1 tm-20 -49.49 -56.89 8.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.172 -0.467 . . . . 2.37 110.383 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.73 81.73 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.229 0.538 . . . . 0.35 110.063 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.78 -30.21 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.438 -0.801 . . . . 0.54 110.25 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.502 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.7 t -69.05 -44.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 1.22 110.463 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.66 -22.38 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 1.65 110.556 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.2 -37.98 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.575 . . . . 0.44 112.171 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 30.7 m -85.61 -17.79 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.841 0.682 . . . . 0.33 112.841 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.37 -10.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.807 0.299 . . . . 0.73 111.807 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.2 pttt -107.04 -46.65 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.823 0.305 . . . . 1.78 111.823 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.583 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -116.14 33.85 5.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.895 0.379 . . . . 0.99 111.511 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.59 179.79 51.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.31 112.705 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.473 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 9.2 p -145.83 -41.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 1.39 110.985 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.07 26.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.868 -0.682 . . . . 0.48 112.402 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.515 HH11 HD12 ' A' ' 55' ' ' LEU . 3.5 ptm180 44.66 28.0 0.3 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.725 0.41 . . . . 4.45 111.694 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -54.28 -42.59 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.051 0.453 . . . . 3.87 110.6 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -69.74 -29.37 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 3.51 110.553 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.465 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.3 m-20 -68.64 -55.9 9.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 2.19 110.394 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.573 ' HB ' HD13 ' A' ' 55' ' ' LEU . 11.6 p -59.78 -26.44 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.327 -0.397 . . . . 1.61 110.693 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HB3' HD22 ' A' ' 41' ' ' LEU . 50.7 mmtt -67.89 -53.15 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 2.16 111.38 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 40' ' ' LYS . 3.9 mm? -113.03 25.82 11.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.353 -0.385 . . . . 1.94 111.843 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' ASP . 51.8 t -49.94 -45.68 51.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.479 . . . . 1.02 110.161 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.68 26.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.257 -0.883 . . . . 0.84 111.089 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 t80 67.89 10.53 7.86 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.069 -1.086 . . . . 3.45 108.069 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.57 -49.06 8.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.523 -1.217 . . . . 2.1 111.213 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -107.9 25.29 11.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.83 110.929 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.22 -6.62 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.98 111.222 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.33 -4.14 16.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.256 -0.429 . . . . 2.33 110.854 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.6 m80 63.44 112.84 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.957 -0.565 . . . . 3.59 111.214 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -93.35 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 5.44 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.0 m -158.88 155.3 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.01 110.466 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -60.89 -46.67 89.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.151 -0.22 . . . . 0.57 111.56 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.417 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 42.7 t -76.41 -42.61 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 121.107 -0.237 . . . . 0.4 111.001 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.535 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -57.32 -53.75 54.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.844 0.354 . . . . 0.65 110.353 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.573 HD13 ' HB ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -59.38 -35.44 73.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.26 -0.644 . . . . 1.81 109.26 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.7 tppp? -67.69 -28.77 67.97 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.659 -0.7 . . . . 2.86 110.027 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 42.4 m-20 -68.26 -42.53 79.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.008 -0.542 . . . . 2.04 109.908 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.3 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.118 -0.492 . . . . 2.38 109.749 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.2 t-105 -70.83 -46.26 63.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.58 -0.736 . . . . 0.57 109.949 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -60.57 -31.64 70.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.79 -0.641 . . . . 1.06 110.421 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -85.09 -25.87 27.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.451 0.643 . . . . 0.97 109.567 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tp -63.94 -34.32 77.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.904 -1.044 . . . . 1.27 110.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.1 m -89.33 -42.21 14.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.945 -0.571 . . . . 0.47 110.453 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.502 ' HB2' HD13 ' A' ' 82' ' ' LEU . 21.5 t60 -54.89 -38.23 67.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.523 . . . . 1.24 110.854 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -82.1 -19.36 40.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 1.18 111.36 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.33 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 0.84 111.348 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 pttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 3.29 111.202 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 121.038 0.447 . . . . 3.3 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -49.45 -33.93 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.676 -0.693 . . . . 2.78 111.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -66.85 -60.15 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.344 -0.389 . . . . 1.25 111.042 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.94 -26.06 65.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.57 111.108 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -70.98 -51.05 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.44 110.966 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -71.96 -20.25 61.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 2.17 111.205 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 82' ' ' LEU . 27.6 t -76.81 -61.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.509 -0.314 . . . . 0.77 111.119 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.22 -27.19 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.532 -0.303 . . . . 1.21 110.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -73.77 -57.14 4.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 1.17 110.558 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.15 75.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 0.31 111.003 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.47 -55.12 34.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.161 0.505 . . . . 0.64 110.212 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.0 -31.32 58.57 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.654 -0.703 . . . . 0.31 111.736 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -66.07 -46.4 77.86 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 110.515 -0.179 . . . . 0.34 110.515 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.473 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 22.6 m0 -55.94 -58.56 7.38 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.119 0.485 . . . . 0.32 110.019 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -56.96 -50.69 71.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.697 . . . . 0.53 111.19 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.95 110.665 179.682 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.3 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.585 0.231 . . . . 1.35 110.613 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -50.21 -27.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 0.44 111.274 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.69 -58.2 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.37 111.097 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.92 -35.13 77.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.51 110.708 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 17' ' ' SER . 87.5 t -55.14 -29.45 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.943 -0.571 . . . . 0.42 110.694 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.11 -57.54 10.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 2.37 110.49 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.259 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.68 -28.38 65.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.54 110.168 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' A' ' 28' ' ' VAL . 4.0 t -75.23 -39.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.758 -0.655 . . . . 1.22 110.522 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tm0? -65.37 -21.8 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 1.65 110.22 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.9 -36.72 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 0.44 112.054 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.5 m -85.68 -18.12 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 112.764 0.653 . . . . 0.33 112.764 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -9.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.956 0.354 . . . . 0.73 111.956 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -104.25 -42.03 5.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.0 0.37 . . . . 1.78 112.0 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.595 HD23 ' H ' ' A' ' 31' ' ' LEU . 2.5 pt? -121.52 29.31 7.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.993 0.425 . . . . 0.99 111.485 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -78.3 -168.59 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.759 -0.734 . . . . 0.31 112.953 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 m -152.33 -44.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 1.39 110.846 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.13 22.54 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.951 -0.642 . . . . 0.48 112.771 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 7.0 ptm180 44.97 25.67 0.17 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 122.78 0.432 . . . . 4.45 111.737 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -57.14 -47.44 81.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 3.87 110.365 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -72.08 -28.82 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.757 -0.656 . . . . 3.51 110.879 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.3 m-20 -66.55 -59.98 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 2.19 110.462 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.531 ' HB ' ' HB2' ' A' ' 46' ' ' ASP . 35.1 m -59.14 -28.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 1.61 110.464 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -61.9 -50.42 72.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 2.16 111.056 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.25 24.28 12.45 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.564 -0.289 . . . . 1.94 111.639 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' A' ' 21' ' ' VAL . 32.9 t -57.46 -48.27 79.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.087 0.47 . . . . 1.02 110.017 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.47 29.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.253 -0.885 . . . . 0.84 110.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 65.89 20.46 11.37 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.7 -1.222 . . . . 3.45 107.7 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.26 -54.85 4.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.088 -1.415 . . . . 2.1 111.269 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.531 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 10.1 m-20 -114.94 20.48 15.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.956 -0.566 . . . . 0.83 110.693 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -5.8 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.98 111.467 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.76 -16.97 14.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.555 -0.293 . . . . 2.33 111.045 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 61.17 105.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.444 . . . . 3.59 111.001 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -85.7 -56.7 3.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 5.44 111.392 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 16.8 m -156.3 156.78 34.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.441 -0.345 . . . . 1.01 110.79 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -61.54 -44.89 96.22 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.815 -0.175 . . . . 0.57 111.426 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 51.3 t -75.98 -41.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 0.4 110.562 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.456 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m-20 -56.99 -43.02 81.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.093 0.473 . . . . 0.65 109.859 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.81 -40.46 95.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.191 -0.67 . . . . 1.81 109.191 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.471 -0.786 . . . . 2.86 109.978 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.84 -38.06 62.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.002 -0.544 . . . . 2.04 110.038 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -66.28 -33.27 75.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 2.38 109.849 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.8 t-105 -75.15 -49.13 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.739 . . . . 0.57 109.916 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HB2' HG21 ' A' ' 86' ' ' VAL . 9.3 tmtt? -59.36 -38.76 81.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.458 -0.792 . . . . 1.06 110.884 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m -75.94 -27.3 57.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.97 110.28 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.403 HD23 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -64.58 -38.94 92.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.768 -0.651 . . . . 1.27 110.199 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.403 HG13 HD23 ' A' ' 62' ' ' LEU . 17.8 m -83.4 -42.22 17.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.309 -0.405 . . . . 0.47 110.552 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.546 ' HB2' HD13 ' A' ' 82' ' ' LEU . 6.9 t60 -55.06 -40.77 70.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.039 -0.528 . . . . 1.24 110.92 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.09 -18.79 45.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 1.18 111.442 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.51 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.384 -0.371 . . . . 0.84 111.28 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 3.29 111.223 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.829 0.347 . . . . 3.3 111.152 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -50.29 -38.16 39.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 2.78 111.765 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -66.81 -60.05 3.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.414 -0.357 . . . . 1.25 110.998 -179.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.16 -24.53 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.57 111.011 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.54 -51.04 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 1.44 110.829 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.75 -20.03 61.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 2.17 111.065 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' LEU . 42.5 t -74.98 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.77 111.095 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.46 -25.88 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 1.21 110.872 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.73 -51.61 18.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.976 0.417 . . . . 1.17 110.512 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.35 82.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.79 -0.641 . . . . 0.31 111.263 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.441 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 49.9 t60 -60.06 -55.64 31.5 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.033 0.444 . . . . 0.64 110.421 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.55 -33.17 62.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.736 -0.745 . . . . 0.31 111.737 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.05 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 0.34 110.727 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.441 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 20.0 m0 -59.87 -58.56 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.074 0.464 . . . . 0.32 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -63.81 -34.13 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.663 -0.699 . . . . 0.53 112.815 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 . . . . . 0 C--N 1.329 -0.325 0 N-CA-C 112.021 0.378 . . . . 1.95 112.021 -179.002 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.4 t . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.693 0.282 . . . . 1.35 110.714 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.06 -25.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.44 111.145 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.88 -57.98 10.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.128 -0.487 . . . . 0.37 110.807 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.47 -35.6 80.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 2.51 110.258 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 17' ' ' SER . 70.2 t -57.17 -25.52 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.847 -0.615 . . . . 0.42 110.878 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.41 -53.83 51.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.059 0.457 . . . . 2.37 110.554 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.894 -0.594 . . . . 0.35 110.612 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.4 tp -55.53 -52.57 63.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.54 110.978 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.67 ' HA ' HG22 ' A' ' 28' ' ' VAL . 33.8 m -65.76 -28.62 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 1.22 110.853 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.48 -22.03 64.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.199 0.523 . . . . 1.65 109.881 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.35 -32.7 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.685 -0.689 . . . . 0.44 111.696 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 25' ' ' VAL . 13.0 m -85.99 -18.57 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 112.767 0.655 . . . . 0.33 112.767 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.53 -10.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.978 0.362 . . . . 0.73 111.978 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.611 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 55.6 pttt -100.83 -42.77 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.936 0.347 . . . . 1.78 111.936 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -124.86 31.97 5.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 0.99 111.587 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -80.55 -165.45 32.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.827 -0.701 . . . . 0.31 112.734 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.451 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.3 m -149.79 -44.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.651 0.262 . . . . 1.39 111.03 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' HA2' HH21 ' A' ' 35' ' ' ARG . . . -162.71 17.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.585 -0.817 . . . . 0.48 112.773 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.446 HH21 ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 47.51 17.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.982 0.42 . . . . 4.45 111.574 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -58.29 -47.21 84.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 3.87 111.336 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -62.98 -34.04 76.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 3.51 111.236 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.42 -61.26 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 2.19 110.905 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.432 HG12 ' HB2' ' A' ' 46' ' ' ASP . 18.9 t -58.35 -26.15 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 1.61 111.077 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB3' HD12 ' A' ' 41' ' ' LEU . 81.8 mttt -67.3 -45.75 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 2.16 110.77 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 40' ' ' LYS . 7.6 mp -112.28 24.89 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 1.94 111.078 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.9 t -55.91 -45.51 78.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 1.02 110.398 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -178.13 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 0.84 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 66.17 14.8 9.82 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.456 -0.942 . . . . 3.45 108.456 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.31 -44.84 12.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.716 -1.129 . . . . 2.1 111.199 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' HB2' HG12 ' A' ' 39' ' ' VAL . 10.2 m-20 -119.74 26.42 9.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.83 110.817 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.0 0.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.98 111.54 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.09 -9.1 12.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.516 -0.311 . . . . 2.33 110.981 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m80 63.6 113.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.095 -0.502 . . . . 3.59 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.482 ' HE ' ' HB3' ' A' ' 54' ' ' ASP . 57.6 ttp180 -90.84 -57.75 2.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 5.44 111.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 12.2 m -157.24 158.82 36.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.516 -0.311 . . . . 1.01 110.624 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -62.76 -46.62 87.18 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 111.576 0.213 . . . . 0.57 111.576 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.451 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 59.6 t -76.86 -40.95 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.997 -0.281 . . . . 0.4 110.648 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' HE ' ' A' ' 50' ' ' ARG . 1.4 m-20 -56.94 -44.94 83.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.042 0.449 . . . . 0.65 109.836 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HG ' HG11 ' A' ' 39' ' ' VAL . 6.9 tt -64.62 -36.25 83.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.024 -0.732 . . . . 1.81 109.024 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -68.04 -26.32 65.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.352 -0.84 . . . . 2.86 110.066 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -73.77 -38.9 64.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.917 -0.583 . . . . 2.04 110.463 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -65.84 -34.39 78.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 2.38 110.175 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 2.1 t-105 -74.84 -50.46 17.02 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.823 -0.626 . . . . 0.57 110.018 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' HG3' HD23 ' A' ' 83' ' ' LEU . 10.3 tmtt? -57.01 -40.91 77.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.744 -0.662 . . . . 1.06 110.971 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.5 m -72.28 -30.96 65.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.021 -0.536 . . . . 0.97 111.297 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD21 HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.93 -31.23 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 1.27 110.86 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -89.19 -40.93 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 0.47 111.12 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.481 ' HB2' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -63.18 -33.35 75.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.334 . . . . 1.24 110.287 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.5 t -79.38 -17.54 54.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.18 111.369 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.84 111.248 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 3.29 111.339 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.6 pm0 . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 121.043 0.449 . . . . 3.3 110.818 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -42.23 -37.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.208 -0.906 . . . . 2.78 112.351 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -68.06 -59.81 2.97 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.686 0.279 . . . . 1.25 110.958 -179.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.444 HD23 ' HG3' ' A' ' 60' ' ' LYS . 56.6 mt -59.38 -24.56 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 0.57 111.004 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -71.33 -50.21 34.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 1.44 110.881 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -71.35 -19.9 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 2.17 110.818 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 82' ' ' LEU . 49.3 t -75.67 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.77 111.111 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.02 -25.34 66.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.41 -0.359 . . . . 1.21 110.668 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -72.15 -48.93 39.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 1.17 110.228 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.77 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 0.31 110.876 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 69.0 t60 -61.96 -55.67 27.04 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.061 0.458 . . . . 0.64 110.341 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.04 59.33 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.714 -0.755 . . . . 0.31 111.706 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -65.73 -49.87 66.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.656 -0.128 . . . . 0.34 110.656 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 9.5 m0 -56.95 -56.51 20.73 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.226 0.536 . . . . 0.32 110.099 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.4 p -55.44 -41.02 72.29 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.586 -0.733 . . . . 0.53 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 1.95 110.457 179.567 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.2 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.579 0.228 . . . . 1.35 110.507 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.17 -29.65 12.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.917 0.389 . . . . 0.44 111.191 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -50.93 72.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.464 . . . . 0.37 110.906 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.38 -35.66 78.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 2.51 110.381 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 17' ' ' SER . 93.9 t -55.99 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.42 110.613 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.3 tm-20 -51.36 -55.34 19.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.231 -0.44 . . . . 2.37 110.494 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.43 99.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.143 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.14 -25.41 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.709 -0.678 . . . . 0.54 110.138 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.517 HG13 ' CH2' ' A' ' 59' ' ' TRP . 10.6 t -76.88 -39.94 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 1.22 110.59 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.41 -21.51 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 1.65 110.346 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.85 -37.81 16.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 0.44 112.05 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.64 -17.96 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 112.857 0.688 . . . . 0.33 112.857 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.34 -10.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.913 0.338 . . . . 0.73 111.913 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -107.41 -46.76 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.866 0.321 . . . . 1.78 111.866 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -113.44 32.36 5.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.759 0.314 . . . . 0.99 111.444 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.8 -172.39 48.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.31 112.702 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.5 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 11.8 p -143.87 -42.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 1.39 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.08 24.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.008 -0.615 . . . . 0.48 112.438 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 5.5 ptm180 45.36 27.4 0.36 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.714 0.405 . . . . 4.45 111.572 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -56.48 -45.92 80.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.133 0.492 . . . . 3.87 110.479 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.445 HH21 HG12 ' A' ' 28' ' ' VAL . 24.8 ptt180 -71.76 -33.38 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 3.51 110.998 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.5 m-20 -65.97 -56.53 11.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 2.19 110.653 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 55' ' ' LEU . 13.0 p -58.74 -31.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 1.61 111.072 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HD3' ' NE2' ' A' ' 49' ' ' HIS . 21.2 mmmt -65.29 -45.69 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 2.16 111.34 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 40' ' ' LYS . 3.7 mm? -112.59 25.18 11.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.482 -0.327 . . . . 1.94 111.425 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.37 -45.18 80.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 1.02 110.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 45' ' ' GLU . . . -179.45 25.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.641 -0.709 . . . . 0.84 111.207 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 t80 67.59 14.37 9.53 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.186 -1.042 . . . . 3.45 108.186 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 15.8 mm-40 -85.03 -51.18 6.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.558 -1.201 . . . . 2.1 110.975 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.88 29.91 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.996 0.426 . . . . 0.83 110.637 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -1.68 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 0.98 111.705 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -118.31 5.14 11.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.64 -0.255 . . . . 2.33 111.036 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.429 ' NE2' ' HD3' ' A' ' 40' ' ' LYS . 77.3 m-70 63.17 118.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.125 -0.489 . . . . 3.59 111.12 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -101.97 -68.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 5.44 111.321 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -156.24 158.62 37.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.298 -0.41 . . . . 1.01 110.55 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -64.23 -46.68 82.73 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.576 0.213 . . . . 0.57 111.576 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 57.4 t -73.6 -38.38 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.968 -0.293 . . . . 0.4 110.518 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -62.28 -43.11 99.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.65 109.726 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.87 -38.83 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.551 -0.75 . . . . 1.81 109.244 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 59' ' ' TRP . 39.2 mmtt -79.81 -14.02 58.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.64 -0.709 . . . . 2.86 110.365 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.6 -43.03 70.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.825 -0.806 . . . . 2.04 108.825 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -78.66 -28.06 45.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.017 -0.992 . . . . 2.38 110.581 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.517 ' CH2' HG13 ' A' ' 25' ' ' VAL . 2.6 t-105 -73.97 -53.43 10.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.107 0.48 . . . . 0.57 109.725 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -58.64 -39.26 80.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.06 110.73 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.9 m -72.16 -30.28 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.127 0.489 . . . . 0.97 110.432 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -65.21 -35.41 80.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.634 -0.712 . . . . 1.27 110.701 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.511 HG13 HD23 ' A' ' 62' ' ' LEU . 17.8 m -88.74 -37.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.478 -0.328 . . . . 0.47 111.075 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.434 ' ND1' HD22 ' A' ' 82' ' ' LEU . 51.3 t60 -63.22 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.24 111.014 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -85.24 -17.04 38.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 1.18 111.146 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.91 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.84 111.504 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp . . . . . 0 C--N 1.332 -0.179 0 CA-C-N 116.51 -0.314 . . . . 3.29 111.267 -179.804 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 . . . . . 0 CA--C 1.518 -0.252 0 CA-C-O 121.531 0.682 . . . . 3.3 110.465 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -41.21 -40.78 1.67 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.303 -1.317 . . . . 2.78 112.921 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -57.78 -60.73 3.26 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.779 -0.368 . . . . 1.25 111.56 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.75 -24.65 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.57 111.133 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.28 -48.1 62.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 1.44 111.242 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.46 -23.51 60.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 2.17 111.281 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 82' ' ' LEU . 45.2 t -72.99 -58.51 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.561 -0.29 . . . . 0.77 111.211 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.21 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -72.16 -50.99 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 1.17 110.619 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.97 -44.75 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.31 111.232 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.477 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 45.8 t60 -62.13 -55.92 23.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.207 0.527 . . . . 0.64 110.328 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.21 -25.08 61.9 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.31 111.646 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -67.15 -50.69 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.56 -0.163 . . . . 0.34 110.56 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.5 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 7.4 m0 -57.23 -56.03 27.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.233 0.54 . . . . 0.32 110.131 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -55.07 -39.4 69.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.578 -0.737 . . . . 0.53 111.038 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.95 110.539 179.521 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p . . . . . 0 CA--C 1.523 -0.063 0 CA-C-O 120.592 0.234 . . . . 1.35 110.448 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.95 -35.4 22.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 0.44 110.92 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 22' ' ' GLU . . . -56.7 -37.92 71.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.957 -0.565 . . . . 0.37 110.518 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.76 -25.89 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 2.51 110.123 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' VAL . 44.3 t -58.12 -35.17 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.675 -0.693 . . . . 0.42 110.912 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 23' ' ' ALA . 11.8 pt-20 -49.1 -49.61 41.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.018 0.437 . . . . 2.37 110.127 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 22' ' ' GLU . . . -63.43 -42.08 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 0.35 109.692 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.9 -28.53 66.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.688 -0.687 . . . . 0.54 110.099 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' HA ' HG22 ' A' ' 28' ' ' VAL . 76.6 t -72.8 -41.33 61.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.014 -0.539 . . . . 1.22 110.288 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.407 ' C ' ' HG2' ' A' ' 29' ' ' GLU . 36.0 tt0 -66.83 -20.14 65.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.97 -0.559 . . . . 1.65 110.44 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.465 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . . . -88.1 -39.02 14.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 0.44 111.938 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.9 m -85.69 -17.81 9.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 112.807 0.669 . . . . 0.33 112.807 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG2' ' C ' ' A' ' 26' ' ' GLN . 3.4 pt-20 -54.43 -15.81 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.853 0.316 . . . . 0.73 111.853 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' NZ ' ' HA ' ' A' ' 27' ' ' ALA . 18.5 pttm -105.25 -47.9 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.778 0.288 . . . . 1.78 111.778 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -104.71 28.24 7.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.79 0.329 . . . . 0.99 111.428 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.33 173.18 20.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.815 -0.707 . . . . 0.31 112.762 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.7 m -154.55 -35.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.322 . . . . 1.39 111.175 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.37 30.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.48 112.463 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HE ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER 45.48 25.23 0.22 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.77 0.428 . . . . 4.45 111.633 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -59.4 -48.87 79.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.955 0.407 . . . . 3.87 110.284 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.48 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 3.51 110.314 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' CYS . 11.1 t70 -65.83 -63.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.598 -0.728 . . . . 2.19 110.718 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -52.72 -27.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 1.61 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -69.15 -54.85 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 2.16 111.67 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -113.85 25.94 10.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.001 0.371 . . . . 1.94 112.001 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASP . 52.0 t -50.47 -45.89 56.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.128 0.489 . . . . 1.02 109.921 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 176.73 26.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.159 -0.928 . . . . 0.84 110.975 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.7 t80 67.04 10.93 8.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.827 -1.175 . . . . 3.45 107.827 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -85.96 -48.49 8.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.489 -1.232 . . . . 2.1 111.329 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.12 24.67 12.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.83 110.982 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.39 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.98 111.107 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -107.31 -8.06 16.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 2.33 110.786 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 63.74 110.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 3.59 111.04 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -93.98 -66.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 5.44 111.137 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 15.0 m -153.57 154.21 33.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.01 110.744 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.455 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.26 -45.76 93.19 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.829 0.307 . . . . 0.57 111.829 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.455 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 74.1 t -77.3 -43.65 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.005 -0.278 . . . . 0.4 110.956 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.51 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -55.14 -50.27 69.71 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.03 0.443 . . . . 0.65 110.09 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.466 HD12 ' HE ' ' A' ' 35' ' ' ARG . 3.0 tm? -62.31 -37.46 85.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.285 -0.635 . . . . 1.81 109.285 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -66.23 -25.71 67.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.801 -0.636 . . . . 2.86 110.059 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 48.7 m-20 -72.48 -39.41 67.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.982 -0.554 . . . . 2.04 110.243 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.08 -33.56 76.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 2.38 110.196 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -75.54 -45.53 37.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.612 -0.722 . . . . 0.57 110.379 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -63.29 -33.94 76.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 1.06 111.075 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.653 ' HA ' ' ND1' ' A' ' 64' ' ' HIS . 15.0 t -79.85 -28.07 40.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.504 . . . . 0.97 110.481 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.55 -0.75 . . . . 1.27 110.538 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.78 -36.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.47 112.181 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.653 ' ND1' ' HA ' ' A' ' 61' ' ' THR . 0.5 OUTLIER -75.95 -32.53 59.58 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.667 -0.413 . . . . 1.24 110.689 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.3 m -78.87 -17.22 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 1.18 110.375 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.54 -72.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 0.84 111.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 67' ' ' LYS . 3.7 ttmp? . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 3.29 111.392 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.582 0.23 . . . . 3.3 111.544 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.548 ' HG3' HD23 ' A' ' 82' ' ' LEU . 12.3 pt-20 -48.79 -54.04 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 2.78 111.516 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.548 HD23 ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -50.59 -57.45 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 1.25 111.446 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.07 -34.12 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 0.57 111.203 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -65.56 -50.7 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.44 111.195 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -71.14 -20.31 62.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 2.17 111.019 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 82' ' ' LEU . 27.0 t -70.99 -61.75 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.305 -0.407 . . . . 0.77 110.643 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.09 -25.11 67.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 1.21 110.378 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.38 -48.74 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.135 0.493 . . . . 1.17 110.051 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.7 98.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.58 -0.737 . . . . 0.31 110.893 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.63 -55.66 28.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.954 0.407 . . . . 0.64 110.311 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.74 -33.71 55.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.647 -0.787 . . . . 0.31 111.666 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.533 -0.173 . . . . 0.34 110.533 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -55.93 -57.94 10.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.14 0.495 . . . . 0.32 110.32 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.9 p -58.12 -33.95 69.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.525 -0.761 . . . . 0.53 111.668 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 1.95 111.026 -179.796 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 47.2 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.555 0.217 . . . . 1.35 110.597 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.39 -31.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.896 0.379 . . . . 0.44 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.48 -48.97 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.37 110.466 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -35.5 81.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.704 -0.68 . . . . 2.51 110.37 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.4 t -58.56 -32.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.42 110.561 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 40.2 tt0 -49.66 -57.28 7.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 2.37 110.412 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.11 94.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.35 110.036 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.56 -26.3 65.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.75 -0.659 . . . . 0.54 110.276 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' A' ' 28' ' ' VAL . 25.2 t -75.99 -40.33 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.94 -0.573 . . . . 1.22 110.377 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.02 -21.49 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 1.65 110.424 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.77 -37.53 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.917 -0.583 . . . . 0.44 112.098 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.5 m -85.66 -18.29 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 112.729 0.64 . . . . 0.33 112.729 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.51 -10.33 2.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.901 0.334 . . . . 0.73 111.901 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -106.14 -47.69 3.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.77 0.285 . . . . 1.78 111.77 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -113.72 32.98 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.99 111.454 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.5 51.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.31 112.795 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.436 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 60.0 m -151.97 -40.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.781 0.324 . . . . 1.39 110.973 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.07 19.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.836 -0.697 . . . . 0.48 112.607 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 43.26 25.01 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.782 0.433 . . . . 4.45 111.386 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.436 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 7.9 p-90 -59.14 -41.71 88.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 3.87 111.118 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.75 -33.08 71.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 3.51 110.517 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.9 m-20 -66.61 -53.97 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.91 -0.586 . . . . 2.19 110.968 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.587 HG21 HD12 ' A' ' 55' ' ' LEU . 12.5 p -60.67 -30.79 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 1.61 111.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -66.79 -46.22 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 2.16 111.192 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.79 25.22 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 1.94 111.579 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' HG21 ' A' ' 21' ' ' VAL . 41.6 t -52.3 -46.08 65.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.122 0.487 . . . . 1.02 109.905 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 179.93 24.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.32 -0.855 . . . . 0.84 111.046 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 t80 69.03 8.76 7.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 108.199 -1.037 . . . . 3.45 108.199 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.98 -51.49 6.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.566 -1.197 . . . . 2.1 111.228 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.05 25.94 8.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.83 110.996 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -8.75 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.98 111.043 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.87 -8.0 20.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 2.33 110.757 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m80 63.34 109.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 3.59 111.162 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -73.45 -76.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 5.44 110.959 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.497 HG22 ' HD1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -158.06 175.95 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.272 -0.422 . . . . 1.01 110.483 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.497 ' HD1' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -63.76 -47.47 80.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.647 0.24 . . . . 0.57 111.647 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 99.2 t -78.44 -39.1 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.837 -0.345 . . . . 0.4 110.693 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 -40.74 84.68 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.136 0.494 . . . . 0.65 109.913 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 HG21 ' A' ' 39' ' ' VAL . 5.9 tt -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.64 -0.709 . . . . 1.81 109.604 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -68.34 -16.84 64.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 2.86 110.1 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.13 -48.83 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 2.04 109.99 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -63.07 -31.26 72.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 2.38 110.282 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.404 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.7 t-105 -75.4 -48.18 24.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.737 -0.665 . . . . 0.57 110.226 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.528 ' HD2' HD13 ' A' ' 82' ' ' LEU . 1.6 ttpm? -55.74 -40.39 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.731 -0.668 . . . . 1.06 110.387 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 64' ' ' HIS . 36.1 m -77.15 -25.24 51.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.712 -0.676 . . . . 0.97 110.364 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.73 97.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 1.27 110.205 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 18.1 m -83.98 -43.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.47 110.697 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 61' ' ' THR . 13.4 t-160 -50.22 -53.6 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.045 -0.525 . . . . 1.24 110.673 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -57.39 -27.46 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 1.18 111.704 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 63' ' ' VAL . . . -59.96 -88.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.619 -0.264 . . . . 0.84 111.233 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt . . . . . 0 N--CA 1.462 0.151 0 CA-C-N 116.715 -0.22 . . . . 3.29 111.377 -179.863 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.752 0.311 . . . . 3.3 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.14 -47.46 62.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.913 -0.585 . . . . 2.78 111.643 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 83' ' ' LEU . 1.1 pp -58.38 -36.35 73.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.623 -0.262 . . . . 1.25 111.573 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.73 ' N ' HD12 ' A' ' 82' ' ' LEU . 19.4 mt -77.64 -29.09 51.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.57 111.205 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -71.15 -50.42 33.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.409 . . . . 1.44 111.379 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.68 -31.26 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.399 -0.364 . . . . 2.17 111.811 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.49 HG21 ' HA ' ' A' ' 60' ' ' LYS . 5.0 t -70.18 -57.2 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.655 0.264 . . . . 0.77 111.178 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.84 -30.61 67.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.955 0.407 . . . . 1.21 110.276 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -73.55 -41.33 63.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 1.17 110.217 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.41 21.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.606 -0.725 . . . . 0.31 110.924 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -58.94 -51.41 70.17 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.243 0.544 . . . . 0.64 110.189 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.77 -30.95 57.56 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.386 -0.824 . . . . 0.31 111.833 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.85 -40.16 83.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.682 0.277 . . . . 0.34 110.294 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -58.72 -55.97 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.32 110.51 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -67.22 -48.52 67.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.77 -0.65 . . . . 0.53 112.216 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 C--N 1.328 -0.341 0 N-CA-C 112.147 0.425 . . . . 1.95 112.147 -178.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 21' ' ' VAL . 42.7 t . . . . . 0 N--CA 1.457 -0.094 0 N-CA-C 110.339 -0.245 . . . . 1.35 110.339 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -46.13 -35.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.795 0.331 . . . . 0.44 111.485 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.85 84.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.37 110.842 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.35 -33.74 69.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 2.51 110.402 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 25' ' ' VAL . 65.2 t -56.21 -34.74 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.976 -0.556 . . . . 0.42 110.608 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.49 -54.9 22.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.229 -0.441 . . . . 2.37 110.309 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.27 83.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.35 110.212 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.09 -31.22 66.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.654 -0.703 . . . . 0.54 110.427 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.6 t -69.32 -42.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 1.22 110.377 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -66.78 -20.37 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.65 110.437 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.09 -36.06 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.44 112.002 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.6 m -85.99 -18.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 112.794 0.664 . . . . 0.33 112.794 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -57.83 -10.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.01 0.374 . . . . 0.73 112.01 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.613 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 56.5 pttt -100.7 -47.76 4.73 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.863 0.32 . . . . 1.78 111.863 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.613 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -118.6 32.56 6.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.774 0.321 . . . . 0.99 111.498 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.8 -179.51 28.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.79 -0.719 . . . . 0.31 112.756 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.5 m -151.22 -37.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.303 . . . . 1.39 110.829 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 176.91 28.49 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.48 112.474 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 44.39 28.94 0.34 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.709 0.29 . . . . 4.45 111.495 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -64.54 -48.91 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 3.87 110.194 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.46 ' H ' ' HD2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -72.53 -26.51 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 3.51 110.726 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -57.22 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 2.19 110.241 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.71 HG21 HD11 ' A' ' 55' ' ' LEU . 32.7 m -61.36 -27.22 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.117 -0.492 . . . . 1.61 110.448 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.52 -51.75 61.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.793 -0.64 . . . . 2.16 111.362 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.7 mt -113.25 25.02 11.7 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.133 0.42 . . . . 1.94 112.133 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.8 p -57.9 -45.81 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.706 -0.479 . . . . 1.02 109.706 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.43 27.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.28 -0.873 . . . . 0.84 110.715 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.1 t80 66.77 17.63 10.59 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.449 -1.315 . . . . 3.45 107.449 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.38 -54.66 4.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.043 -1.435 . . . . 2.1 111.164 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -97.99 17.05 19.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.83 110.777 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -5.96 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.98 111.429 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -95.4 -25.78 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.546 -0.297 . . . . 2.33 110.569 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 55.34 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.864 -0.607 . . . . 3.59 111.324 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -71.28 -83.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 5.44 111.036 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -147.17 179.94 7.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.417 -0.356 . . . . 1.01 110.737 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.428 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.4 OUTLIER -60.69 -46.18 91.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.056 0.391 . . . . 0.57 112.056 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 93.2 t -79.85 -40.36 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.037 -0.265 . . . . 0.4 111.407 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.984 0.421 . . . . 0.65 110.437 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 39' ' ' VAL . 9.7 tt -65.7 -51.64 57.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 1.81 110.112 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -63.72 -20.87 66.08 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 2.86 109.955 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -50.92 51.64 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.535 -0.543 . . . . 2.04 109.535 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -61.37 -25.65 67.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.597 -0.729 . . . . 2.38 109.702 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.5 t-105 -76.91 -47.48 20.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.522 -0.763 . . . . 0.57 109.993 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.4 ttpm? -58.59 -33.62 70.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 1.06 110.51 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.436 ' HA ' ' HB3' ' A' ' 64' ' ' HIS . 42.3 m -82.71 -26.59 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.623 . . . . 0.97 109.778 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.18 -35.48 80.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 1.27 109.948 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.5 m -89.46 -42.97 14.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 0.47 110.37 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.543 ' HB2' HD13 ' A' ' 82' ' ' LEU . 14.1 t60 -53.26 -35.77 60.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.959 -0.564 . . . . 1.24 110.919 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -88.58 -17.32 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 1.18 111.401 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.05 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 0.84 111.603 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 3.6 ttmp? . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.985 0.421 . . . . 3.29 110.971 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.882 0.372 . . . . 3.3 110.988 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -48.3 -35.6 12.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 2.78 111.614 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -65.09 -59.92 3.6 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.385 -0.371 . . . . 1.25 110.605 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.89 -36.36 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.57 110.902 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.65 -51.5 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.91 -0.586 . . . . 1.44 111.427 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.71 -20.02 64.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.639 -0.255 . . . . 2.17 111.603 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 82' ' ' LEU . 53.2 t -75.46 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.648 0.261 . . . . 0.77 111.301 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.51 -24.64 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 1.21 111.246 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -76.83 -55.75 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 1.17 110.694 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.53 85.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.31 110.931 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.453 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 60.7 t60 -58.66 -55.69 31.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.209 0.528 . . . . 0.64 110.378 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -31.89 61.6 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.741 -0.742 . . . . 0.31 111.846 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -67.57 -42.41 82.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.607 0.242 . . . . 0.34 110.675 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.453 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 26.7 m0 -58.0 -54.08 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.415 . . . . 0.32 110.299 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 p -67.11 -49.76 63.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.616 . . . . 0.53 111.963 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 1.95 111.705 -179.248 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.2 p . . . . . 0 N--CA 1.458 -0.058 0 N-CA-C 110.461 -0.2 . . . . 1.54 110.461 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.98 -32.61 15.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.897 0.379 . . . . 0.65 110.856 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.53 73.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.065 -0.516 . . . . 0.63 110.484 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.73 -35.63 81.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 2.03 110.222 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 25' ' ' VAL . 92.0 t -56.05 -33.57 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.87 -0.604 . . . . 1.1 110.502 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.4 tm-20 -50.45 -53.73 27.46 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.186 -0.461 . . . . 2.29 110.16 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.73 96.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.45 110.006 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.04 -27.49 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.669 -0.696 . . . . 0.63 110.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.502 ' HA ' HG22 ' A' ' 28' ' ' VAL . 40.4 t -73.44 -42.76 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 2.08 110.444 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.88 -21.66 66.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 2.43 110.537 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.6 -35.8 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.56 112.099 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.9 m -85.96 -18.49 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.601 0.593 . . . . 0.44 112.601 -178.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.24 -10.15 14.43 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.932 0.345 . . . . 1.13 111.932 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.596 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -104.01 -45.39 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.181 0.437 . . . . 1.48 112.181 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.1 pp -122.24 32.14 5.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.878 0.325 . . . . 0.81 111.878 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.96 -173.58 48.85 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.656 -0.783 . . . . 0.33 112.76 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.535 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.2 m -141.17 -38.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.015 0.436 . . . . 1.33 110.646 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . -174.82 25.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.65 112.22 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.519 HH11 HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER 40.87 27.52 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.115 0.566 . . . . 4.26 111.817 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.443 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 34.9 m95 -58.25 -44.28 88.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 4.61 110.317 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -68.72 -23.91 64.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.78 -0.645 . . . . 3.3 110.63 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 3.4 m-20 -73.8 -52.03 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.78 110.94 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.496 HG11 HD13 ' A' ' 55' ' ' LEU . 13.9 p -64.53 -30.58 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 2.01 111.333 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 41' ' ' LEU . 14.3 mptt -73.11 -41.85 63.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.465 -0.334 . . . . 3.34 111.236 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 40' ' ' LYS . 7.9 mp -112.77 24.74 12.11 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.877 0.325 . . . . 2.44 111.877 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.55 -46.05 84.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 1.36 109.916 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -176.73 25.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 1.0 110.846 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 66.77 11.98 8.58 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.559 -0.904 . . . . 3.34 108.559 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -85.91 -51.8 6.14 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.613 -1.176 . . . . 2.12 111.389 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -105.76 24.24 12.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 1.46 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.71 -7.16 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.12 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.79 -0.04 57.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.986 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 37.81 94.23 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.602 0.564 . . . . 5.11 112.171 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.71 -69.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 5.96 111.098 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -160.0 178.6 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 0.99 110.611 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.509 ' H ' HG22 ' A' ' 51' ' ' THR . 0.9 OUTLIER -63.59 -48.04 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.083 -0.247 . . . . 0.59 111.589 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.423 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 74.2 t -79.78 -37.59 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.611 0.243 . . . . 0.46 110.841 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.51 -52.97 62.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.996 0.427 . . . . 0.71 110.519 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 HH11 ' A' ' 35' ' ' ARG . 0.4 OUTLIER -63.19 -37.73 88.4 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.571 -0.529 . . . . 1.69 109.571 179.218 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 tppt? -66.37 -26.74 67.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.998 -0.546 . . . . 3.41 109.9 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.23 -48.02 66.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.702 -0.681 . . . . 2.08 109.712 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -56.61 -37.04 70.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 3.01 109.738 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.51 -45.84 71.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.75 109.968 179.004 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HB2' HG21 ' A' ' 86' ' ' VAL . 5.1 tmtt? -58.73 -33.33 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.539 -0.755 . . . . 1.68 110.726 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.409 ' N ' ' HD3' ' A' ' 60' ' ' LYS . 57.6 m -84.6 -27.09 27.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.281 0.562 . . . . 1.2 110.111 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -34.63 77.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.177 -0.92 . . . . 1.34 110.578 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.42 -31.81 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 0.56 111.198 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -69.73 -38.39 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 1.52 110.89 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.7 m -78.03 -17.35 57.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.086 -0.506 . . . . 1.74 111.028 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 0.64 111.409 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.531 -0.304 . . . . 3.49 111.344 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.801 0.334 . . . . 2.18 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -47.68 -38.06 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.806 -0.634 . . . . 1.84 111.609 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 83' ' ' LEU . 2.3 pp -60.67 -51.7 68.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.523 -0.308 . . . . 1.5 111.166 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 82' ' ' LEU . 16.9 mt -63.86 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.74 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -68.57 -47.26 67.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 1.33 111.512 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -75.37 -29.51 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 2.4 111.878 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 82' ' ' LEU . 40.2 t -70.44 -52.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 0.55 111.232 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.39 -31.04 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 1.24 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.15 -57.81 4.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 1.18 110.821 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.14 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.952 -0.567 . . . . 0.27 111.156 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.408 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 11.3 t-160 -61.42 -55.32 32.75 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.139 0.495 . . . . 1.32 110.39 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.14 -29.74 56.57 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.34 111.919 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -67.13 -47.12 72.06 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.526 -0.176 . . . . 0.4 110.526 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 18.5 m0 -55.95 -55.52 31.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.502 . . . . 0.42 110.14 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p -59.39 -48.89 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.5 110.958 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 2.24 110.449 179.596 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.4 m . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.591 0.234 . . . . 1.54 110.674 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.2 p -59.9 -25.99 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.142 0.496 . . . . 0.65 110.685 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.78 85.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.57 . . . . 0.63 110.402 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.06 -40.75 30.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.752 -0.658 . . . . 2.03 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 18' ' ' VAL . 2.8 p -61.29 -24.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.366 -0.379 . . . . 1.1 110.521 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HA ' HD11 ' A' ' 62' ' ' LEU . 36.8 tt0 -54.32 -49.1 70.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.378 0.608 . . . . 2.29 110.136 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.26 73.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.644 -0.707 . . . . 0.45 110.364 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.65 -42.96 93.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 0.63 111.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' A' ' 28' ' ' VAL . 32.2 m -73.75 -27.0 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 2.08 110.811 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -73.82 -21.27 60.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 2.43 110.046 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.5 -38.48 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.783 -0.644 . . . . 0.56 111.55 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.6 m -82.98 -18.06 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.363 -0.381 . . . . 0.44 111.974 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -22.94 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.672 0.272 . . . . 1.13 111.547 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.545 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 20.6 ptmt -96.91 -47.72 5.72 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.249 0.463 . . . . 1.48 112.249 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.545 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.5 pp -110.34 33.69 4.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.867 0.365 . . . . 0.81 111.567 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -76.33 -175.19 39.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.87 -0.681 . . . . 0.33 112.782 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.516 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 62.4 m -157.12 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 1.33 110.948 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' HG3' ' A' ' 35' ' ' ARG . . . -176.6 24.48 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.694 -0.765 . . . . 0.65 112.731 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HD3' ' HZ3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER 44.63 29.8 0.45 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.754 0.311 . . . . 4.26 111.361 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -62.59 -47.96 81.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.177 0.513 . . . . 4.61 110.258 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -65.05 -36.82 85.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.777 -0.647 . . . . 3.3 110.43 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' CYS . 8.3 m-20 -63.77 -63.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.78 110.846 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.488 HG23 HD13 ' A' ' 55' ' ' LEU . 9.0 p -50.1 -30.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.41 -0.359 . . . . 2.01 111.549 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -68.3 -54.31 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.471 -0.331 . . . . 3.34 111.756 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.6 26.04 10.73 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.143 0.423 . . . . 2.44 112.143 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' ASP . 41.4 t -51.63 -45.99 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 1.36 110.035 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.18 25.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.157 -0.929 . . . . 1.0 111.006 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.5 t80 67.41 11.18 8.25 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.98 -1.118 . . . . 3.34 107.98 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -85.76 -47.7 9.5 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.496 -1.229 . . . . 2.12 111.357 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.4 25.44 11.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.46 111.095 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.62 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.261 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -108.33 -8.9 15.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 2.25 110.937 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 62.63 110.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.051 -0.522 . . . . 5.11 111.045 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -95.9 -69.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 5.96 111.223 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.48 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 17.5 m -149.73 155.06 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.99 110.754 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.75 -46.4 89.76 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 111.803 0.297 . . . . 0.59 111.803 -179.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.451 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 64.0 t -75.5 -42.05 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.954 -0.299 . . . . 0.46 110.781 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.4 m-20 -55.82 -47.62 76.86 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.068 0.461 . . . . 0.71 109.889 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.488 HD13 HG23 ' A' ' 39' ' ' VAL . 18.5 tp -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.854 -0.612 . . . . 1.69 109.393 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HZ3' ' HD3' ' A' ' 35' ' ' ARG . 17.1 tppt? -69.32 -24.47 63.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.568 -0.742 . . . . 3.41 110.163 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.77 -43.21 63.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 2.08 110.349 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.85 -28.78 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 3.01 110.077 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -72.49 -49.27 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.674 -0.693 . . . . 0.75 110.174 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.482 ' CB ' HG21 ' A' ' 86' ' ' VAL . 21.9 ptmt -68.5 -32.51 72.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.585 -0.734 . . . . 1.68 111.103 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.9 m -75.4 -25.29 57.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.47 0.653 . . . . 1.2 109.832 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.448 HD11 ' HA ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -73.44 -36.34 65.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.146 -0.934 . . . . 1.34 110.224 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.62 -24.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.56 111.234 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -75.99 -42.67 47.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 1.52 110.685 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 m -74.08 -17.17 60.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 1.74 110.85 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.81 -71.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 0.64 111.439 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 3.49 111.312 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.979 0.418 . . . . 2.18 110.886 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.75 -58.19 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.58 -0.736 . . . . 1.84 112.343 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 82' ' ' LEU . 2.0 pt? -56.94 -48.8 77.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.612 0.227 . . . . 1.5 111.612 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.87 -32.56 67.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.709 0.29 . . . . 0.74 111.488 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.11 -52.73 9.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 1.33 111.806 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.88 -21.27 64.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.88 0.326 . . . . 2.4 111.88 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.482 HG21 ' CB ' ' A' ' 60' ' ' LYS . 49.0 t -84.76 -60.44 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.686 -0.234 . . . . 0.55 111.615 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.64 -26.37 61.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.749 0.309 . . . . 1.24 110.842 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -72.87 -49.59 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 1.18 110.357 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 92' ' ' TYR . . . -57.74 -46.8 83.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.724 -0.671 . . . . 0.27 111.229 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -60.71 -55.59 31.36 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.111 0.481 . . . . 1.32 110.343 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.34 -24.94 62.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.7 -0.762 . . . . 0.34 111.804 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 89' ' ' ALA . 38.8 t80 -66.65 -50.86 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.654 -0.128 . . . . 0.4 110.654 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.516 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 5.6 m0 -58.44 -54.23 49.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.225 0.536 . . . . 0.42 109.967 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.7 p -54.72 -38.9 67.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.534 -0.757 . . . . 0.5 110.722 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 2.24 110.31 179.255 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.9 m . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.589 0.233 . . . . 1.54 110.556 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -51.19 -26.87 5.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.383 -0.372 . . . . 0.65 111.176 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.78 11.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.17 -0.468 . . . . 0.63 111.053 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.03 110.476 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HA ' ' A' ' 42' ' ' CYS . 95.9 t -58.1 -27.22 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 1.1 110.82 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.22 -48.73 73.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 2.29 110.552 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.76 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.45 110.489 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.17 -49.54 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.698 -0.683 . . . . 0.63 110.711 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.712 ' HA ' HG22 ' A' ' 28' ' ' VAL . 28.2 m -67.67 -30.45 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 2.08 110.779 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -64.17 -23.88 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.297 0.57 . . . . 2.43 109.854 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.25 -33.03 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.473 -0.785 . . . . 0.56 111.877 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 25' ' ' VAL . 5.5 m -85.81 -18.49 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.74 0.644 . . . . 0.44 112.74 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.87 -10.24 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.86 0.318 . . . . 1.13 111.86 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.631 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.7 pttt -106.76 -44.93 4.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.346 . . . . 1.48 111.933 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.631 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -123.96 35.57 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.878 0.37 . . . . 0.81 111.635 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.89 -172.52 44.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.791 -0.718 . . . . 0.33 112.91 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 12.0 p -136.91 -41.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 1.33 111.061 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA3' ' NE1' ' A' ' 36' ' ' TRP . . . -179.98 27.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.705 -0.759 . . . . 0.65 112.485 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 41.22 31.89 0.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.775 0.43 . . . . 4.26 111.738 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.42 ' NE1' ' HA3' ' A' ' 34' ' ' GLY . 48.4 m95 -66.92 -43.24 83.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.06 0.457 . . . . 4.61 110.403 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -70.06 -31.59 69.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 3.3 111.022 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.23 -55.64 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.78 110.712 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.584 HG11 HD11 ' A' ' 55' ' ' LEU . 8.7 p -59.77 -32.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.339 -0.391 . . . . 2.01 111.064 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ALA . 26.3 mmmt -64.28 -45.38 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 3.34 111.37 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.08 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.574 -0.285 . . . . 2.44 111.602 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.522 ' HA ' HG21 ' A' ' 21' ' ' VAL . 51.9 t -54.64 -45.48 73.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.407 . . . . 1.36 110.228 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 179.18 25.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.006 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 67.52 12.36 8.85 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.991 -1.114 . . . . 3.34 107.991 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.67 -53.56 5.08 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.447 -1.251 . . . . 2.12 111.324 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -114.25 31.76 6.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 1.46 110.74 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -66.05 0.07 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.56 111.584 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.87 1.16 11.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.635 -0.257 . . . . 2.25 111.195 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 63.2 117.91 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.484 . . . . 5.11 111.101 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -91.91 -64.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 5.96 111.398 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.479 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.9 m -156.77 157.16 34.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.399 -0.364 . . . . 0.99 110.499 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.444 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.56 -45.81 92.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.724 0.268 . . . . 0.59 111.724 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 76.4 t -77.25 -40.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 121.036 -0.266 . . . . 0.46 111.095 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.1 m-20 -60.25 -49.72 76.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.066 0.46 . . . . 0.71 109.945 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.584 HD11 HG11 ' A' ' 39' ' ' VAL . 6.8 tt -58.14 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.058 -0.719 . . . . 1.69 109.058 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 56' ' ' LYS . 5.6 tmmm? -67.02 -27.39 67.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 3.41 110.505 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.25 -48.5 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 2.08 110.583 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -62.86 -36.8 84.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.801 -0.636 . . . . 3.01 110.536 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.456 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -68.24 -44.2 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.82 -0.627 . . . . 0.75 110.54 179.559 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -62.58 -32.75 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 1.68 110.825 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -84.65 -26.84 27.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.628 0.728 . . . . 1.2 109.701 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.499 HD21 HG11 ' A' ' 25' ' ' VAL . 7.5 tp -64.89 -33.58 76.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.804 -1.089 . . . . 1.34 110.3 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 64' ' ' HIS . 17.0 m -89.36 -45.22 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.56 110.384 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.495 ' HB2' HD13 ' A' ' 82' ' ' LEU . 45.1 t60 -52.82 -37.87 60.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.17 -0.468 . . . . 1.52 110.758 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.4 m -81.52 -22.43 37.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 1.74 111.227 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.64 111.461 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 116.48 -0.327 . . . . 3.49 111.006 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 . . . . . 0 N--CA 1.46 0.065 0 CA-C-O 120.959 0.409 . . . . 2.18 110.953 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -48.31 -36.14 13.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 1.84 111.832 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -63.15 -59.59 4.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 1.5 110.798 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.34 -35.53 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.74 110.983 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.8 -51.27 65.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 1.33 111.216 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -69.89 -19.82 63.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 2.4 111.289 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 82' ' ' LEU . 38.4 t -72.35 -61.6 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 0.55 110.887 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.72 -25.67 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 1.24 110.717 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.87 -52.2 11.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 1.18 110.552 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.31 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.27 111.245 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -54.16 -55.59 26.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.165 0.507 . . . . 1.32 110.481 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.48 -33.36 62.08 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.757 . . . . 0.34 111.861 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.54 -40.3 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.577 0.227 . . . . 0.4 110.69 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 34.5 m0 -58.03 -57.58 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.056 0.455 . . . . 0.42 110.176 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.7 p -64.75 -50.04 68.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.586 -0.734 . . . . 0.5 112.178 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 2.24 111.854 -179.096 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p . . . . . 0 C--O 1.231 0.092 0 N-CA-C 110.066 -0.346 . . . . 1.54 110.066 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.64 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.936 0.398 . . . . 0.65 110.591 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.96 88.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.617 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.73 -41.15 92.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.03 110.015 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 25' ' ' VAL . 61.4 t -51.74 -35.23 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.793 -0.639 . . . . 1.1 110.56 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.6 tm-20 -51.5 -50.24 60.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.159 -0.473 . . . . 2.29 110.013 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.56 92.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.45 109.821 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.41 -29.65 64.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.468 -0.787 . . . . 0.63 110.126 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.499 ' HA ' HG22 ' A' ' 28' ' ' VAL . 56.5 t -70.38 -41.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 2.08 110.259 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.16 -21.53 66.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 2.43 110.396 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.54 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.939 -0.573 . . . . 0.56 111.966 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.86 -18.01 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 112.783 0.66 . . . . 0.44 112.783 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.84 -10.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.034 0.383 . . . . 1.13 112.034 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.601 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -102.21 -47.7 4.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.72 0.266 . . . . 1.48 111.72 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.601 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.9 pp -116.08 32.02 6.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 0.81 111.494 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.28 179.7 32.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.33 112.831 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.5 m -154.91 -41.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.33 110.958 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -172.8 22.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.65 112.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.496 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 3.8 ptm180 44.61 26.24 0.18 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.667 0.387 . . . . 4.26 111.627 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -53.68 -43.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.042 0.448 . . . . 4.61 110.652 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.5 -31.3 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 3.3 110.994 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.4 m-20 -67.47 -57.87 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.78 110.614 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.603 HG21 HD12 ' A' ' 55' ' ' LEU . 7.2 p -57.66 -31.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 2.01 110.849 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -64.28 -50.49 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 3.34 111.583 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.8 tp -113.3 26.02 10.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.827 0.306 . . . . 2.44 111.827 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 53.0 t -52.86 -45.11 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 1.36 109.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB3' ' HG2' ' A' ' 45' ' ' GLU . . . 173.96 28.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.624 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 64.78 14.9 9.48 Favored 'General case' 0 CA--C 1.513 -0.481 0 N-CA-C 108.029 -1.1 . . . . 3.34 108.029 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 16.1 mm-40 -85.34 -53.14 5.41 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.356 -1.293 . . . . 2.12 111.204 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.91 27.31 9.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 1.46 110.871 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -4.05 3.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.494 . . . . 1.56 111.338 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -101.61 -17.09 16.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 2.25 110.736 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 62.07 105.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.926 -0.579 . . . . 5.11 111.326 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -78.79 -80.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 5.96 110.88 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.6 p -146.65 176.62 9.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.486 -0.325 . . . . 0.99 110.937 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.44 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -60.32 -46.06 91.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.59 111.906 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.44 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 92.8 t -76.23 -47.61 30.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.121 -0.232 . . . . 0.46 111.043 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -48.28 67.59 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.71 110.362 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 39' ' ' VAL . 5.4 tt -62.19 -40.05 94.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 1.69 109.597 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.19 -21.24 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 3.41 110.614 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.53 -44.75 41.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 2.08 110.284 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -65.25 -29.34 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 3.01 110.134 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.458 ' CH2' HG13 ' A' ' 25' ' ' VAL . 2.2 t-105 -78.61 -49.55 13.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.75 110.331 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HA ' HG21 ' A' ' 86' ' ' VAL . 6.7 tmtt? -56.68 -34.27 67.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 1.68 110.682 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.2 m -83.79 -26.3 29.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 1.2 109.847 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tp -64.1 -31.99 73.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.205 -0.907 . . . . 1.34 110.208 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.402 HG23 ' N ' ' A' ' 64' ' ' HIS . 18.0 m -89.93 -44.84 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 0.56 110.452 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.454 ' CG ' HD13 ' A' ' 82' ' ' LEU . 34.4 t60 -55.38 -33.78 63.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.135 0.493 . . . . 1.52 110.733 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.1 t -78.64 -22.81 46.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 1.74 111.556 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.42 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.471 -0.331 . . . . 0.64 111.489 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 pttp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 3.49 110.891 -179.858 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.938 0.399 . . . . 2.18 110.71 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -52.23 -35.86 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 1.84 111.783 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -64.93 -59.79 3.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.537 -0.301 . . . . 1.5 110.901 -179.505 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.88 -24.86 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.74 111.078 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.76 -51.04 45.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 1.33 110.473 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.84 -20.07 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 2.4 110.554 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 82' ' ' LEU . 13.3 t -73.86 -57.88 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 0.55 110.657 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.78 -29.45 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.24 110.355 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.24 -46.98 53.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 1.18 110.405 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.64 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 0.27 111.341 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.48 -53.28 59.96 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 1.32 110.593 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.49 50.61 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.528 -0.76 . . . . 0.34 111.879 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.85 -41.09 95.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.4 110.34 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -56.22 -57.58 11.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.42 110.671 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -67.81 -48.08 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.5 112.438 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 2.24 111.696 -179.165 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 80.0 p . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.606 0.241 . . . . 1.54 110.72 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.49 -31.87 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.244 -0.435 . . . . 0.65 111.474 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.08 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.63 111.108 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.46 -41.56 88.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 2.03 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG21 ' SG ' ' A' ' 42' ' ' CYS . 61.8 t -57.47 -31.12 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.1 110.81 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -49.0 -58.35 5.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 2.29 110.114 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.19 86.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.45 109.935 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.64 -28.98 66.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.7 -0.682 . . . . 0.63 110.377 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 28' ' ' VAL . 54.4 t -75.35 -38.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 2.08 110.306 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.47 -22.55 66.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.021 -0.536 . . . . 2.43 110.65 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.41 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 0.56 112.063 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.58 -18.09 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 112.615 0.598 . . . . 0.44 112.615 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -58.2 -10.46 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.782 0.29 . . . . 1.13 111.782 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 59.4 pttt -107.48 -47.73 3.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.676 0.25 . . . . 1.48 111.676 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -110.25 28.7 8.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.882 0.372 . . . . 0.81 111.448 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.57 -178.64 25.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.883 -0.675 . . . . 0.33 112.822 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 p -145.38 -49.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.33 111.236 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.01 22.04 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.917 -0.659 . . . . 0.65 112.316 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 42.56 24.59 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.817 0.447 . . . . 4.26 111.816 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -71.11 -44.72 65.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 4.61 111.079 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.02 -34.5 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.927 0.394 . . . . 3.3 111.263 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -67.51 -62.41 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.78 111.454 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.596 HG11 ' HG ' ' A' ' 55' ' ' LEU . 43.6 t -57.04 -38.49 60.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 2.01 111.836 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.35 -33.68 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 3.34 111.17 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.22 18.77 18.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.721 0.296 . . . . 2.44 111.1 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 21' ' ' VAL . 17.0 t -51.99 -50.25 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 1.36 110.514 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 178.31 29.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.703 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.2 t80 69.21 15.92 8.55 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 107.703 -1.221 . . . . 3.34 107.703 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.2 -54.13 6.58 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.088 -1.415 . . . . 2.12 110.558 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.53 ' HB3' HG12 ' A' ' 39' ' ' VAL . 15.9 t70 -119.2 25.2 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.018 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -22.1 60.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.942 -0.572 . . . . 1.56 111.369 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.38 -7.65 59.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 2.25 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.8 p80 37.0 90.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.679 -0.691 . . . . 5.11 112.1 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -60.41 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 5.96 111.125 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.508 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -150.1 179.65 7.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.425 . . . . 0.99 110.68 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' H ' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -64.13 -46.49 83.93 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.74 0.274 . . . . 0.59 111.74 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.436 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 89.3 t -79.21 -37.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.683 0.278 . . . . 0.46 110.96 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.418 . . . . 0.71 110.286 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.596 ' HG ' HG11 ' A' ' 39' ' ' VAL . 8.2 tt -65.24 -50.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 1.69 110.013 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -27.36 66.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.204 -0.453 . . . . 3.41 109.824 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.23 -49.66 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 2.08 109.941 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -57.78 -29.18 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.707 -0.678 . . . . 3.01 109.88 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.404 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.6 t-105 -73.93 -48.51 30.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.572 -0.74 . . . . 0.75 110.213 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.499 ' HE3' HD13 ' A' ' 82' ' ' LEU . 27.9 ttpt -57.3 -30.89 65.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.876 -0.602 . . . . 1.68 110.662 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.5 m -83.4 -26.97 29.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 1.2 110.096 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -32.28 73.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.462 -0.79 . . . . 1.34 110.208 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.4 m -90.06 -43.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 0.56 111.295 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -60.27 -29.88 69.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.992 0.425 . . . . 1.52 110.597 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.6 t -80.7 -23.18 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.907 -0.588 . . . . 1.74 111.385 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.58 -84.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.64 111.443 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 3.49 111.017 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.96 0.409 . . . . 2.18 110.766 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.577 -0.738 . . . . 1.84 111.608 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' H ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -60.07 -36.07 76.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.661 0.267 . . . . 1.5 111.565 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.737 ' H ' HD12 ' A' ' 82' ' ' LEU . 25.5 mt -76.42 -41.37 47.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.74 111.375 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -67.47 -38.86 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 1.33 111.52 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.0 ptm85 -74.31 -36.18 63.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 2.4 111.729 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.498 HG21 ' HG3' ' A' ' 60' ' ' LYS . 25.9 t -73.42 -44.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.675 0.274 . . . . 0.55 111.312 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.23 -33.1 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.999 0.428 . . . . 1.24 110.444 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.3 -53.7 13.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 1.18 110.663 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.23 -43.7 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 0.27 111.032 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 11.1 t-160 -61.02 -55.09 36.95 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.076 0.465 . . . . 1.32 110.287 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.06 -32.87 50.33 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.34 111.651 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -63.82 -46.97 82.72 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.187 -0.301 . . . . 0.4 110.187 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -54.78 -60.1 3.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.058 0.456 . . . . 0.42 110.341 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -56.11 -40.99 74.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.568 -0.742 . . . . 0.5 111.392 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 2.24 110.761 179.848 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.6 m . . . . . 0 C--O 1.232 0.138 0 N-CA-C 110.349 -0.241 . . . . 1.54 110.349 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.16 -23.57 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 0.65 111.013 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.21 13.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 0.63 110.643 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.22 -33.78 73.84 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.08 0.467 . . . . 2.03 110.017 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 17' ' ' SER . 96.2 t -55.76 -25.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 1.1 110.605 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -52.82 -53.96 41.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.045 0.45 . . . . 2.29 110.377 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.29 82.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.606 . . . . 0.45 110.612 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.8 tp -54.4 -60.17 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.843 -0.617 . . . . 0.63 110.732 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 28' ' ' VAL . 31.8 m -61.81 -26.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 2.08 110.833 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -68.07 -23.49 64.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 2.43 109.742 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.22 -29.43 20.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.464 -0.789 . . . . 0.56 111.263 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 25' ' ' VAL . 4.0 m -85.75 -19.35 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 112.343 0.497 . . . . 0.44 112.343 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.27 -10.18 14.86 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.081 -0.248 . . . . 1.13 111.589 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -107.5 -40.42 5.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.937 0.347 . . . . 1.48 111.937 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -122.55 29.49 6.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.824 0.345 . . . . 0.81 111.678 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.77 -170.98 45.16 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.773 -0.727 . . . . 0.33 112.772 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.553 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 47.7 m -146.36 -33.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.633 0.254 . . . . 1.33 111.311 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.95 26.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.702 -0.761 . . . . 0.65 112.717 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 41.18 27.5 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.77 0.428 . . . . 4.26 111.813 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.553 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 42.9 p-90 -73.57 -43.09 60.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 4.61 111.01 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.16 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.16 0.505 . . . . 3.3 110.158 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.8 m-20 -66.6 -56.53 10.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.651 -0.704 . . . . 0.78 110.972 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -57.36 -29.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 2.01 111.417 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -69.63 -49.37 54.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.479 -0.328 . . . . 3.34 111.66 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.18 25.58 11.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.841 0.311 . . . . 2.44 111.841 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 21' ' ' VAL . 48.3 t -52.75 -47.17 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 1.36 109.862 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.13 27.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.242 -0.89 . . . . 1.0 110.775 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 66.08 13.05 8.9 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.256 -1.016 . . . . 3.34 108.256 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -85.82 -48.76 8.47 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.646 -1.161 . . . . 2.12 111.121 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.81 26.34 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 1.46 110.818 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -15.72 59.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 1.56 110.994 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.03 -7.19 36.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 2.25 110.789 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 62.97 105.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.854 -0.612 . . . . 5.11 111.16 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 7.1 tpm_? -83.48 -67.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 5.96 110.961 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 14.3 m -156.3 154.03 30.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.99 110.612 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.447 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -62.18 -45.48 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.043 0.386 . . . . 0.59 112.043 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.5 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 89.9 t -78.06 -33.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.081 -0.248 . . . . 0.46 111.276 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -67.88 -44.99 75.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.018 0.437 . . . . 0.71 110.447 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 55' ' ' LEU . 2.3 tm? -64.85 -53.62 43.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 1.69 109.969 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -56.62 -28.5 60.61 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.573 -0.529 . . . . 3.41 109.573 179.266 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 14.4 t70 -63.71 -44.39 93.78 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.415 -0.587 . . . . 2.08 109.415 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -59.15 -32.42 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.53 -0.759 . . . . 3.01 110.07 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.418 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -82.64 -30.76 29.15 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.85 -0.613 . . . . 0.75 109.904 179.247 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.446 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -68.36 -38.06 81.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.326 -0.852 . . . . 1.68 110.157 179.25 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.9 t -82.69 -26.85 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.599 -0.728 . . . . 1.2 109.328 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -59.65 -44.35 93.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.108 -0.951 . . . . 1.34 109.143 178.547 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.456 ' N ' HD13 ' A' ' 62' ' ' LEU . 17.4 m -80.16 -44.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 0.56 110.783 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.501 ' HB2' HD13 ' A' ' 82' ' ' LEU . 2.0 t60 -54.61 -34.46 62.08 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.159 -0.473 . . . . 1.52 111.143 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.6 m -90.79 -17.24 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 1.74 111.263 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.62 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.64 111.504 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.496 -0.32 . . . . 3.49 111.205 -179.849 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 121.019 0.438 . . . . 2.18 110.721 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -51.47 -37.48 49.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 1.84 111.909 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.595 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -66.35 -57.6 7.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.582 -0.281 . . . . 1.5 111.171 -179.281 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.64 -33.27 69.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 0.74 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.1 -52.13 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 1.33 111.024 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 85' ' ' ARG . 11.3 ptp180 -68.87 -19.74 64.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 2.4 111.189 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 82' ' ' LEU . 41.7 t -70.38 -62.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.347 -0.388 . . . . 0.55 110.924 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.17 -19.45 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 1.24 110.779 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -77.23 -54.4 6.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 1.18 110.399 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 0.27 110.955 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -61.66 -55.63 28.44 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.127 0.489 . . . . 1.32 110.181 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.3 -29.45 63.11 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.697 -0.763 . . . . 0.34 111.645 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -64.62 -47.39 78.75 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 110.396 -0.224 . . . . 0.4 110.396 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 16.5 m0 -57.41 -57.5 12.39 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.249 0.547 . . . . 0.42 109.944 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -55.12 -36.45 65.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.375 -0.829 . . . . 0.5 111.155 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 2.24 110.79 179.801 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p . . . . . 0 C--O 1.231 0.112 0 N-CA-C 110.217 -0.29 . . . . 1.54 110.217 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.92 -33.23 15.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.871 0.367 . . . . 0.65 110.73 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.17 84.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 0.63 110.524 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.38 -36.46 81.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.029 -0.532 . . . . 2.03 109.983 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.1 t -54.17 -34.34 26.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.808 -0.633 . . . . 1.1 110.496 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.447 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 39.7 tt0 -48.58 -56.13 9.25 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.107 0.48 . . . . 2.29 110.244 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.72 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.45 109.881 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.58 -28.94 66.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.584 -0.735 . . . . 0.63 110.111 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.534 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.8 t -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 2.08 110.213 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -65.21 -23.24 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 2.43 110.203 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.69 -37.09 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 0.56 112.231 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 25' ' ' VAL . 31.1 m -85.75 -18.18 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.642 0.608 . . . . 0.44 112.642 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.09 -10.36 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.894 0.331 . . . . 1.13 111.894 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.575 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.0 ptpt -107.35 -47.78 3.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.891 0.33 . . . . 1.48 111.891 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.8 pp -114.27 31.98 6.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 0.81 111.62 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.17 -175.86 43.23 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.721 -0.752 . . . . 0.33 112.681 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.546 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 59.7 m -151.32 -43.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 1.33 110.918 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.88 20.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.807 -0.711 . . . . 0.65 112.411 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 59' ' ' TRP . 1.4 ptm180 45.0 21.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 122.821 0.448 . . . . 4.26 111.575 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.546 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 11.4 p-90 -58.35 -45.24 88.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 4.61 110.852 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 16.0 ptm180 -65.26 -28.81 69.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 3.3 110.519 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.56 -60.18 3.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.78 110.724 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG11 HD13 ' A' ' 55' ' ' LEU . 19.0 m -57.46 -26.96 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 2.01 110.721 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 88.9 mttt -64.54 -52.5 57.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 3.34 111.167 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.0 24.69 12.11 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.803 0.297 . . . . 2.44 111.803 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.87 -46.06 78.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 1.36 110.296 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -177.03 24.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 1.0 111.153 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.416 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER 72.2 4.95 5.18 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.457 -0.942 . . . . 3.34 108.457 -179.457 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -81.35 -54.4 5.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.705 -1.134 . . . . 2.12 111.496 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -101.45 25.5 8.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 1.46 110.782 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.44 -3.71 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 1.56 111.32 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.25 -5.55 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 2.25 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 62.97 114.22 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.068 -0.514 . . . . 5.11 111.169 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.21 -69.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 5.96 111.223 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -158.14 155.94 30.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.99 110.352 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.449 ' HD1' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -58.84 -47.54 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.769 0.285 . . . . 0.59 111.769 -179.412 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.424 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 78.4 t -77.32 -43.04 31.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.054 -0.259 . . . . 0.46 111.012 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.52 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.3 m-20 -57.74 -51.49 69.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.71 110.383 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.585 HD13 HG11 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -61.63 -34.98 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 1.69 109.236 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HD3' HG11 ' A' ' 86' ' ' VAL . 6.0 tmmm? -67.29 -29.81 69.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.734 -0.666 . . . . 3.41 109.963 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -68.27 -46.2 71.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.194 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.52 -30.75 70.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.13 0.49 . . . . 3.01 109.713 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.524 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -71.25 -45.6 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.771 . . . . 0.75 110.0 179.234 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.588 ' HD2' ' HG ' ' A' ' 83' ' ' LEU . 1.5 ttpm? -56.18 -33.59 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.676 -0.693 . . . . 1.68 110.385 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.7 m -85.11 -28.03 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.778 -0.646 . . . . 1.2 109.626 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.524 ' HB3' ' HA ' ' A' ' 59' ' ' TRP . 4.7 tp -64.01 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.031 -0.986 . . . . 1.34 110.145 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -90.16 -43.66 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 0.56 110.658 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.477 ' HB2' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -57.96 -33.93 69.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 1.52 110.801 179.292 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.8 t -74.04 -21.93 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 1.74 111.535 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.94 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.64 111.303 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 pttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 3.49 111.135 -179.912 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.833 0.349 . . . . 2.18 110.958 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -50.77 -38.97 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 1.84 111.726 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -68.57 -58.68 3.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.489 -0.323 . . . . 1.5 110.954 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.588 ' HG ' ' HD2' ' A' ' 60' ' ' LYS . 25.6 mt -56.31 -25.81 49.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.74 110.869 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -72.12 -49.66 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 1.33 110.836 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.43 -19.99 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 2.4 111.131 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 82' ' ' LEU . 46.9 t -76.46 -57.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.55 110.97 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.19 -26.95 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 1.24 110.595 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -75.46 -56.69 4.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 1.18 110.766 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.33 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.27 111.16 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -59.18 -55.39 35.56 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.178 0.513 . . . . 1.32 110.407 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.12 -31.53 59.08 Favored Glycine 0 C--O 1.225 -0.46 0 CA-C-N 115.491 -0.777 . . . . 0.34 111.796 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.06 -40.28 87.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.705 0.288 . . . . 0.4 110.232 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.526 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 41.1 m0 -58.72 -54.5 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.382 . . . . 0.42 110.426 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -68.06 -48.57 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.5 112.133 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.398 . . . . 2.24 112.007 -179.099 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.736 0.303 . . . . 10.3 110.921 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 58.65 18.72 6.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.103 -0.499 . . . . 10.1 111.079 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -73.48 125.33 27.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.197 -0.456 . . . . 7.28 110.929 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.7 mm -100.22 131.04 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 6.21 110.919 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -66.86 103.15 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 6.48 110.823 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -139.04 87.71 13.87 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.171 -0.468 . . . . 6.47 110.885 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.34 -30.98 9.69 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.395 2.063 . . . . 2.39 112.312 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -128.45 167.37 17.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 2.2 110.994 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.424 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.8 p -162.09 179.68 7.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.944 -0.571 . . . . 1.35 110.578 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.1 p -51.84 -32.99 15.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.916 0.388 . . . . 0.44 110.948 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.65 -49.64 75.79 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.116 -0.493 . . . . 0.37 110.513 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.08 -35.38 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.809 -0.632 . . . . 2.51 110.19 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 25' ' ' VAL . 94.3 t -55.38 -34.45 34.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.88 -0.6 . . . . 0.42 110.596 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -48.69 -58.38 4.83 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.23 -0.441 . . . . 2.37 110.321 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.1 78.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.931 -0.577 . . . . 0.35 109.909 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.3 tp -59.58 -29.8 68.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 0.54 110.251 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 21' ' ' VAL . 75.4 t -70.13 -42.38 79.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 116.149 -0.478 . . . . 1.22 110.24 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -65.78 -22.25 66.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.999 -0.546 . . . . 1.65 110.671 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.79 -37.61 16.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.975 -0.557 . . . . 0.44 112.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.46 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.7 m -85.69 -18.04 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 N-CA-C 112.773 0.657 . . . . 0.33 112.773 -178.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.38 -10.47 1.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.959 0.355 . . . . 0.73 111.959 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 57.7 pttt -106.54 -47.75 3.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.711 0.263 . . . . 1.78 111.711 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -111.26 32.35 5.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.89 0.376 . . . . 0.99 111.34 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.7 168.79 42.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.834 -0.698 . . . . 0.31 112.734 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.8 p -143.14 -36.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.799 0.333 . . . . 1.39 111.022 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.95 28.51 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.759 -0.734 . . . . 0.48 112.591 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.604 HH12 ' HZ1' ' A' ' 56' ' ' LYS . 11.7 ptp85 42.94 30.46 0.25 Allowed 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 122.719 0.408 . . . . 4.45 111.711 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -63.78 -45.46 89.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.119 0.485 . . . . 3.87 110.378 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -71.5 -31.19 66.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.859 -0.609 . . . . 3.51 110.685 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -68.1 -51.48 45.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 2.19 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.504 HG23 HD13 ' A' ' 55' ' ' LEU . 8.7 p -63.09 -31.97 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.435 -0.348 . . . . 1.61 111.213 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -67.98 -45.32 74.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 2.16 111.562 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -113.16 25.13 11.63 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 111.874 0.324 . . . . 1.94 111.874 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 52.2 t -54.43 -46.2 73.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.114 0.483 . . . . 1.02 109.882 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.87 27.68 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.133 -0.939 . . . . 0.84 110.637 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 65.94 13.02 8.82 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 108.204 -1.036 . . . . 3.45 108.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.98 -54.03 4.74 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.517 -1.22 . . . . 2.1 111.447 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -110.14 27.25 9.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.83 110.9 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.71 -6.31 11.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.98 111.246 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -108.88 -5.5 16.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.374 -0.375 . . . . 2.33 110.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 61.5 m80 63.32 111.84 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.066 -0.515 . . . . 3.59 111.156 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -94.46 -69.19 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 5.44 111.135 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 10.7 m -150.66 153.03 34.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 1.01 110.823 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -59.67 -45.66 91.39 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.021 0.378 . . . . 0.57 112.021 -179.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.43 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 99.0 t -78.19 -35.7 20.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.869 -0.332 . . . . 0.4 110.999 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 0.9 OUTLIER -56.77 -53.38 58.42 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.643 -0.503 . . . . 0.65 109.643 179.17 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.504 HD13 HG23 ' A' ' 39' ' ' VAL . 15.8 tp -62.8 -34.2 76.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.805 -0.634 . . . . 1.81 109.4 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.604 ' HZ1' HH12 ' A' ' 35' ' ' ARG . 16.6 tppt? -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.446 -0.797 . . . . 2.86 110.348 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.8 -44.66 55.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.977 -0.556 . . . . 2.04 110.37 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.3 -29.03 66.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.551 -0.75 . . . . 2.38 111.049 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.472 ' CZ3' HG22 ' A' ' 25' ' ' VAL . 3.5 t-105 -80.17 -51.93 8.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.284 -0.416 . . . . 0.57 110.059 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.4 ttpm? -54.64 -33.39 60.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.811 -0.631 . . . . 1.06 111.081 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.4 t -82.44 -30.42 30.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.96 0.41 . . . . 0.97 110.337 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -33.37 72.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.682 -0.69 . . . . 1.27 110.236 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.8 m -90.17 -41.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.913 -0.585 . . . . 0.47 111.12 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -61.75 -29.33 70.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.897 0.379 . . . . 1.24 110.578 179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.2 t -81.15 -17.24 50.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 1.18 111.434 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.19 -87.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.259 -0.428 . . . . 0.84 111.386 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -148.22 22.56 1.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.48 -0.327 . . . . 3.29 111.245 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.63 -25.27 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.799 0.333 . . . . 1.01 110.719 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.0 m 51.02 72.78 1.12 Allowed Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.983 -0.553 . . . . 1.82 111.147 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.15 2.15 8.27 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.502 2.135 . . . . 1.61 112.421 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.568 ' HG3' ' H ' ' A' ' 73' ' ' ARG . 19.0 pt20 -87.64 -25.86 23.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 4.66 110.921 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 59.75 15.01 4.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.165 -0.47 . . . . 6.4 111.204 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.568 ' H ' ' HG3' ' A' ' 71' ' ' GLN . 71.6 ttt180 62.09 10.81 3.91 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.262 -0.427 . . . . 6.51 111.006 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -107.91 -53.95 2.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 8.11 110.945 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.1 -143.27 5.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.807 -0.711 . . . . 4.13 112.378 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -132.16 72.96 78.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.614 0.245 . . . . 6.42 110.879 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.01 -87.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.441 2.094 . . . . 2.76 112.321 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.93 99.57 4.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 2.36 111.14 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HB2' HD21 ' A' ' 82' ' ' LEU . 58.3 Cg_endo -71.98 81.09 1.44 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.302 2.001 . . . . 1.56 112.404 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -96.73 -27.24 14.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.987 -0.551 . . . . 3.3 110.87 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -51.15 -47.9 61.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.813 -0.63 . . . . 2.78 111.604 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.642 HD12 ' N ' ' A' ' 83' ' ' LEU . 1.0 OUTLIER -57.71 -29.99 65.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.633 -0.258 . . . . 1.25 111.524 -179.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.642 ' N ' HD12 ' A' ' 82' ' ' LEU . 27.6 mt -79.65 -39.14 32.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.943 0.401 . . . . 0.57 110.924 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.42 ' O ' ' HB2' ' A' ' 88' ' ' ASN . 7.0 t30 -69.37 -35.49 75.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.023 -0.535 . . . . 1.44 111.213 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 85' ' ' ARG . 13.8 ptm180 -78.74 -34.95 45.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.414 -0.357 . . . . 2.17 111.764 -179.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 60' ' ' LYS . 13.3 p -68.94 -45.88 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.91 -0.316 . . . . 0.77 111.083 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.448 ' N ' HG13 ' A' ' 86' ' ' VAL . 7.0 mp -70.35 -33.2 71.18 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.45 -0.341 . . . . 1.21 110.845 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 84' ' ' ASN . 40.8 t-20 -69.61 -43.89 71.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.431 . . . . 1.17 110.098 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.74 -57.53 12.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.57 -0.741 . . . . 0.31 111.288 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -59.16 -55.09 39.39 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.976 0.417 . . . . 0.64 110.589 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -52.77 -33.59 42.81 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.872 -0.68 . . . . 0.31 111.962 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 96' ' ' GLN . 11.6 t80 -65.39 -48.42 72.91 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.67 -0.122 . . . . 0.34 110.67 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -52.05 -60.63 2.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.186 0.517 . . . . 0.32 110.371 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.5 p -57.77 -48.29 80.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.529 -0.76 . . . . 0.53 111.498 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.59 -11.63 61.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.378 -0.374 . . . . 1.95 111.025 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 92' ' ' TYR . 7.6 tp60 -82.9 -32.32 27.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 3.18 110.215 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 61.77 33.91 17.58 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.739 -0.664 . . . . 2.2 110.611 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.421 ' C ' ' H ' ' A' ' 100' ' ' GLN . 63.7 mtt 63.89 3.06 1.51 Allowed 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.834 -0.621 . . . . 2.39 111.238 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.406 ' HB3' ' O ' ' A' ' 98' ' ' MET . 53.5 tt0 72.66 -34.73 0.3 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.164 -0.471 . . . . 4.42 111.722 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.421 ' H ' ' C ' ' A' ' 98' ' ' MET . 49.3 mt-30 -144.83 19.62 1.64 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.751 0.31 . . . . 4.74 110.796 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 101' ' ' LEU . 7.1 mp 60.01 18.38 7.56 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.205 -0.452 . . . . 5.61 110.961 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' HG2' ' H ' ' A' ' 104' ' ' ASN . 9.7 tt0 -136.99 157.55 46.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.086 -0.506 . . . . 7.84 110.665 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.1 pm0 -79.48 3.83 17.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 8.28 110.984 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.456 ' H ' ' HG2' ' A' ' 102' ' ' GLN . 7.8 t30 -86.04 80.99 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 6.74 110.662 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.563 -0.732 . . . . 4.85 111.295 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.821 0.343 . . . . 10.3 110.972 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -83.43 -22.96 32.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.478 . . . . 10.1 110.882 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -94.2 110.38 22.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 7.28 110.912 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.9 mt -102.52 139.91 22.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.164 -0.471 . . . . 6.21 111.016 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -84.48 114.02 21.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.141 0.496 . . . . 6.48 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -94.38 149.93 37.43 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.712 -0.677 . . . . 6.47 110.899 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.68 -63.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.403 2.069 . . . . 2.39 112.433 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -133.55 174.83 10.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 2.2 111.169 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p -154.76 162.65 41.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.945 -0.571 . . . . 1.35 110.648 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -50.26 -34.69 11.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.319 -0.4 . . . . 0.44 111.149 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.34 -46.79 82.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.193 -0.458 . . . . 0.37 111.002 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -70.1 -34.75 73.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.049 -0.523 . . . . 2.51 110.296 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 25' ' ' VAL . 97.4 t -54.83 -35.4 33.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.928 -0.578 . . . . 0.42 110.596 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.1 tm-20 -49.49 -56.89 8.22 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.172 -0.467 . . . . 2.37 110.383 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.92 -43.73 81.73 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.229 0.538 . . . . 0.35 110.063 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.78 -30.21 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.438 -0.801 . . . . 0.54 110.25 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.502 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.7 t -69.05 -44.79 80.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.138 -0.483 . . . . 1.22 110.463 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.66 -22.38 66.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 1.65 110.556 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.2 -37.98 15.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.575 . . . . 0.44 112.171 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 30.7 m -85.61 -17.79 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 112.841 0.682 . . . . 0.33 112.841 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -56.37 -10.32 0.89 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.807 0.299 . . . . 0.73 111.807 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.583 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.2 pttt -107.04 -46.65 3.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.823 0.305 . . . . 1.78 111.823 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.583 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -116.14 33.85 5.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.895 0.379 . . . . 0.99 111.511 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -78.59 179.79 51.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.31 112.705 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.473 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 9.2 p -145.83 -41.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.902 0.382 . . . . 1.39 110.985 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.07 26.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.868 -0.682 . . . . 0.48 112.402 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.515 HH11 HD12 ' A' ' 55' ' ' LEU . 3.5 ptm180 44.66 28.0 0.3 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 122.725 0.41 . . . . 4.45 111.694 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -54.28 -42.59 70.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.051 0.453 . . . . 3.87 110.6 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -69.74 -29.37 66.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 3.51 110.553 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.3 m-20 -68.64 -55.9 9.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 2.19 110.394 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.573 ' HB ' HD13 ' A' ' 55' ' ' LEU . 11.6 p -59.78 -26.44 35.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.327 -0.397 . . . . 1.61 110.693 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HB3' HD22 ' A' ' 41' ' ' LEU . 50.7 mmtt -67.89 -53.15 28.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.988 -0.551 . . . . 2.16 111.38 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.447 HD22 ' HB3' ' A' ' 40' ' ' LYS . 3.9 mm? -113.03 25.82 11.05 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.353 -0.385 . . . . 1.94 111.843 -178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 38' ' ' ASP . 51.8 t -49.94 -45.68 51.47 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.105 0.479 . . . . 1.02 110.161 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 177.68 26.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.257 -0.883 . . . . 0.84 111.089 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.0 t80 67.89 10.53 7.86 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.069 -1.086 . . . . 3.45 108.069 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.57 -49.06 8.34 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 114.523 -1.217 . . . . 2.1 111.213 -179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -107.9 25.29 11.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.83 110.929 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.22 -6.62 14.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.98 111.222 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -109.33 -4.14 16.63 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.256 -0.429 . . . . 2.33 110.854 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 33.6 m80 63.44 112.84 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.957 -0.565 . . . . 3.59 111.214 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -93.35 -65.36 1.0 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 5.44 110.96 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.0 m -158.88 155.3 27.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.279 -0.419 . . . . 1.01 110.466 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -60.89 -46.67 89.7 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 121.151 -0.22 . . . . 0.57 111.56 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.417 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 42.7 t -76.41 -42.61 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 121.107 -0.237 . . . . 0.4 111.001 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -57.32 -53.75 54.58 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.844 0.354 . . . . 0.65 110.353 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.573 HD13 ' HB ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -59.38 -35.44 73.92 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.26 -0.644 . . . . 1.81 109.26 178.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 3.7 tppp? -67.69 -28.77 67.97 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.659 -0.7 . . . . 2.86 110.027 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 42.4 m-20 -68.26 -42.53 79.49 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.008 -0.542 . . . . 2.04 109.908 179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.3 -32.06 73.38 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.118 -0.492 . . . . 2.38 109.749 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.2 t-105 -70.83 -46.26 63.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.58 -0.736 . . . . 0.57 109.949 179.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -60.57 -31.64 70.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.79 -0.641 . . . . 1.06 110.421 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 96.7 m -85.09 -25.87 27.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.451 0.643 . . . . 0.97 109.567 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 tp -63.94 -34.32 77.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.904 -1.044 . . . . 1.27 110.122 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.401 ' O ' HG12 ' A' ' 68' ' ' ILE . 21.1 m -89.33 -42.21 14.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.945 -0.571 . . . . 0.47 110.453 178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.502 ' HB2' HD13 ' A' ' 82' ' ' LEU . 21.5 t60 -54.89 -38.23 67.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.523 . . . . 1.24 110.854 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.2 m -82.1 -19.36 40.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.57 . . . . 1.18 111.36 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.33 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.458 -0.337 . . . . 0.84 111.348 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -165.42 26.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 3.29 111.202 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 63' ' ' VAL . 31.4 mm -58.54 -30.07 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 1.01 110.741 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.5 t 47.82 67.03 4.88 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.089 -0.505 . . . . 1.82 111.217 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.32 5.79 5.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.602 2.201 . . . . 1.61 112.525 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -66.41 -39.31 88.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 4.66 111.062 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 61.12 8.96 2.19 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.164 -0.471 . . . . 6.4 111.444 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 62.44 118.37 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.267 -0.424 . . . . 6.51 111.423 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.14 107.4 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.001 -0.545 . . . . 8.11 111.272 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.86 154.97 11.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 4.13 112.708 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -163.66 105.48 0.94 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.407 0.146 . . . . 6.42 110.782 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.47 -86.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.268 1.979 . . . . 2.76 112.361 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.5 p -145.55 131.42 9.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 2.36 110.992 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.563 ' HB2' HD11 ' A' ' 82' ' ' LEU . 73.6 Cg_endo -75.57 86.87 1.43 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.391 2.06 . . . . 1.56 112.383 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -96.32 -25.15 15.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 3.3 111.016 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -49.45 -33.93 15.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.676 -0.693 . . . . 2.78 111.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -66.85 -60.15 2.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.344 -0.389 . . . . 1.25 111.042 -179.636 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.94 -26.06 65.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.57 111.108 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -70.98 -51.05 27.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 1.44 110.966 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -71.96 -20.25 61.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.364 -0.38 . . . . 2.17 111.205 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 82' ' ' LEU . 27.6 t -76.81 -61.58 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.509 -0.314 . . . . 0.77 111.119 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.22 -27.19 68.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.532 -0.303 . . . . 1.21 110.752 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -73.77 -57.14 4.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 1.17 110.558 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.15 75.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.902 -0.59 . . . . 0.31 111.003 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -61.47 -55.12 34.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.161 0.505 . . . . 0.64 110.212 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.0 -31.32 58.57 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.654 -0.703 . . . . 0.31 111.736 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 96' ' ' GLN . 16.1 t80 -66.07 -46.4 77.86 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 110.515 -0.179 . . . . 0.34 110.515 179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.473 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 22.6 m0 -55.94 -58.56 7.38 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.119 0.485 . . . . 0.32 110.019 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -56.96 -50.69 71.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.697 . . . . 0.53 111.19 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -67.03 -17.37 64.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.95 110.665 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 92' ' ' TYR . 64.7 tt0 -75.99 -29.17 58.11 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.628 -0.508 . . . . 3.18 109.628 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 66.91 15.28 10.11 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.323 -0.853 . . . . 2.2 110.992 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 39.8 ttp 55.26 15.06 1.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 2.39 111.114 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -126.72 20.26 7.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 4.42 110.953 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 58.76 100.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 4.74 111.106 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.14 -43.44 87.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 5.61 111.027 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.86 83.17 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 7.84 110.745 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 55.31 21.96 4.5 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.099 -0.5 . . . . 8.28 111.307 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -78.76 79.45 5.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.856 0.36 . . . . 6.74 110.792 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.349 -0.834 . . . . 4.85 111.18 179.894 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.801 0.334 . . . . 10.3 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 4.3 mmp_? 58.58 18.44 5.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.069 -0.514 . . . . 10.1 111.188 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -93.26 108.11 19.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 7.28 110.864 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.412 ' H ' HG13 ' A' ' 12' ' ' ILE . 2.4 pp -77.22 175.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.173 -0.467 . . . . 6.21 111.303 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -143.17 -36.74 0.37 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 6.48 110.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 40.0 mmt180 -53.84 145.82 30.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 6.47 111.035 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 14' ' ' ARG . 36.9 Cg_exo -61.03 -53.59 2.45 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.524 2.149 . . . . 2.39 112.319 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -119.71 171.65 8.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 2.2 111.285 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.3 p -163.86 178.92 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.908 -0.587 . . . . 1.35 110.613 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -50.21 -27.12 3.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.412 -0.358 . . . . 0.44 111.274 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.69 -58.2 9.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.37 111.097 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -67.92 -35.13 77.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.51 110.708 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 17' ' ' SER . 87.5 t -55.14 -29.45 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.943 -0.571 . . . . 0.42 110.694 179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -53.11 -57.54 10.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.272 -0.422 . . . . 2.37 110.49 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.58 95.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.259 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.0 tp -58.68 -28.38 65.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.643 -0.708 . . . . 0.54 110.168 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' A' ' 28' ' ' VAL . 4.0 t -75.23 -39.66 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.758 -0.655 . . . . 1.22 110.522 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.5 tm0? -65.37 -21.8 66.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.085 -0.507 . . . . 1.65 110.22 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.9 -36.72 16.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 0.44 112.054 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.5 m -85.68 -18.12 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 112.764 0.653 . . . . 0.33 112.764 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -9.9 1.23 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.956 0.354 . . . . 0.73 111.956 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -104.25 -42.03 5.62 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.0 0.37 . . . . 1.78 112.0 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.595 ' H ' HD23 ' A' ' 31' ' ' LEU . 2.5 pt? -121.52 29.31 7.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.993 0.425 . . . . 0.99 111.485 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -78.3 -168.59 33.33 Favored Glycine 0 N--CA 1.453 -0.186 0 C-N-CA 120.759 -0.734 . . . . 0.31 112.953 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.5 m -152.33 -44.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.892 0.377 . . . . 1.39 110.846 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.13 22.54 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.951 -0.642 . . . . 0.48 112.771 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 7.0 ptm180 44.97 25.67 0.17 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 122.78 0.432 . . . . 4.45 111.737 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.8 m95 -57.14 -47.44 81.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 3.87 110.365 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -72.08 -28.82 63.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.757 -0.656 . . . . 3.51 110.879 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.3 m-20 -66.55 -59.98 3.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 2.19 110.462 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.531 ' HB ' ' HB2' ' A' ' 46' ' ' ASP . 35.1 m -59.14 -28.8 40.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.995 0.426 . . . . 1.61 110.464 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -61.9 -50.42 72.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.836 -0.62 . . . . 2.16 111.056 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.9 mt -113.25 24.28 12.45 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.564 -0.289 . . . . 1.94 111.639 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' A' ' 21' ' ' VAL . 32.9 t -57.46 -48.27 79.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.087 0.47 . . . . 1.02 110.017 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.47 29.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.253 -0.885 . . . . 0.84 110.356 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 65.89 20.46 11.37 Favored 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 107.7 -1.222 . . . . 3.45 107.7 -178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -85.26 -54.85 4.34 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.088 -1.415 . . . . 2.1 111.269 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.531 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 10.1 m-20 -114.94 20.48 15.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.956 -0.566 . . . . 0.83 110.693 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.97 -5.8 3.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.98 111.467 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -105.76 -16.97 14.52 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.555 -0.293 . . . . 2.33 111.045 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 61.17 105.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.222 -0.444 . . . . 3.59 111.001 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -85.7 -56.7 3.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 5.44 111.392 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.456 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 16.8 m -156.3 156.78 34.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.441 -0.345 . . . . 1.01 110.79 -179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.459 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -61.54 -44.89 96.22 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.815 -0.175 . . . . 0.57 111.426 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.459 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 51.3 t -75.98 -41.79 38.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.597 0.237 . . . . 0.4 110.562 179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.3 m-20 -56.99 -43.02 81.28 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.093 0.473 . . . . 0.65 109.859 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.81 -40.46 95.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.191 -0.67 . . . . 1.81 109.191 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -67.53 -22.24 65.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.471 -0.786 . . . . 2.86 109.978 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -74.84 -38.06 62.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.002 -0.544 . . . . 2.04 110.038 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -66.28 -33.27 75.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.964 -0.562 . . . . 2.38 109.849 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.476 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.8 t-105 -75.15 -49.13 20.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.739 . . . . 0.57 109.916 179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HB2' HG21 ' A' ' 86' ' ' VAL . 9.3 tmtt? -59.36 -38.76 81.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.458 -0.792 . . . . 1.06 110.884 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.3 m -75.94 -27.3 57.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.97 110.28 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.403 HD23 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -64.58 -38.94 92.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.768 -0.651 . . . . 1.27 110.199 179.55 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.403 HG13 HD23 ' A' ' 62' ' ' LEU . 17.8 m -83.4 -42.22 17.44 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.138 0 CA-C-N 116.309 -0.405 . . . . 0.47 110.552 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.546 ' HB2' HD13 ' A' ' 82' ' ' LEU . 6.9 t60 -55.06 -40.77 70.68 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.039 -0.528 . . . . 1.24 110.92 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.09 -18.79 45.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.999 -0.546 . . . . 1.18 111.442 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.51 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.384 -0.371 . . . . 0.84 111.28 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -163.4 20.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 3.29 111.223 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.9 mm -60.83 -28.49 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.268 -0.424 . . . . 1.01 110.664 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.413 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . 53.4 m 45.18 59.02 14.76 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.933 -0.576 . . . . 1.82 111.54 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.575 ' HB2' ' HB3' ' A' ' 79' ' ' PRO . 74.1 Cg_endo -78.27 -48.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.521 2.147 . . . . 1.61 112.447 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -81.6 -14.51 56.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 4.66 111.045 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 18.5 mm-40 -65.67 -20.5 66.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 6.4 110.817 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 73' ' ' ARG . 4.0 mmp_? -105.54 115.35 30.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 6.51 110.889 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 74' ' ' ARG . 4.1 mmp_? -78.58 123.72 27.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 8.11 110.883 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 135.02 41.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.831 -0.7 . . . . 4.13 112.53 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 12.1 pt-20 -161.69 149.74 12.34 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.444 0.164 . . . . 6.42 110.932 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 76' ' ' GLU . 11.6 Cg_exo -71.38 -75.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.689 2.259 . . . . 2.76 112.152 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 29.2 m -127.77 151.01 74.81 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.01 -0.541 . . . . 2.36 111.141 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.575 ' HB3' ' HB2' ' A' ' 70' ' ' PRO . 60.6 Cg_endo -72.15 100.14 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.481 2.12 . . . . 1.56 112.329 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -96.22 -25.91 15.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.045 -0.525 . . . . 3.3 111.152 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -50.29 -38.16 39.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 2.78 111.765 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -66.81 -60.05 3.01 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.414 -0.357 . . . . 1.25 110.998 -179.462 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.16 -24.53 63.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.57 111.011 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -70.54 -51.04 31.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 1.44 110.829 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -72.75 -20.03 61.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 2.17 111.065 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 82' ' ' LEU . 42.5 t -74.98 -62.16 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.77 111.095 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 mp -62.46 -25.88 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.464 -0.335 . . . . 1.21 110.872 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.73 -51.61 18.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.976 0.417 . . . . 1.17 110.512 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.35 82.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.79 -0.641 . . . . 0.31 111.263 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.441 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 49.9 t60 -60.06 -55.64 31.5 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.033 0.444 . . . . 0.64 110.421 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.55 -33.17 62.02 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.736 -0.745 . . . . 0.31 111.737 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -63.05 -43.2 99.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.59 0.233 . . . . 0.34 110.727 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.441 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 20.0 m0 -59.87 -58.56 8.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.074 0.464 . . . . 0.32 110.525 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -63.81 -34.13 77.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.663 -0.699 . . . . 0.53 112.815 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -85.3 -63.63 1.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.021 0.378 . . . . 1.95 112.021 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.625 ' HG3' ' HA ' ' A' ' 99' ' ' GLN . 51.4 tp60 -59.6 -15.65 20.22 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.548 -0.296 . . . . 3.18 111.225 -179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.586 ' HA ' HE21 ' A' ' 97' ' ' GLN . 0.0 OUTLIER 60.06 58.62 2.63 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.272 -0.422 . . . . 2.2 111.378 179.651 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.444 ' O ' ' HB3' ' A' ' 99' ' ' GLN . 2.2 mpt? 53.27 22.51 2.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 2.39 111.263 179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.625 ' HA ' ' HG3' ' A' ' 96' ' ' GLN . 28.3 tt0 75.11 -43.11 0.5 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.551 0.532 . . . . 4.42 111.273 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -150.23 150.74 31.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.785 0.326 . . . . 4.74 110.869 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' HG ' ' H ' ' A' ' 101' ' ' LEU . 2.5 pp -81.86 -6.05 58.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 5.61 110.946 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.533 ' HG2' ' HG3' ' A' ' 103' ' ' GLN . 29.4 tt0 -136.0 136.88 40.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.043 -0.526 . . . . 7.84 110.668 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.533 ' HG3' ' HG2' ' A' ' 102' ' ' GLN . 97.8 mt-30 57.28 88.02 0.06 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.122 -0.49 . . . . 8.28 111.056 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -93.59 73.29 4.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 6.74 110.421 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.335 -0.84 . . . . 4.85 111.154 179.635 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.738 0.304 . . . . 10.3 110.9 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.73 -59.02 5.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 10.1 110.903 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -84.0 117.19 23.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 7.28 110.787 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.9 tp -140.52 145.3 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.147 -0.479 . . . . 6.21 110.976 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.497 ' HG2' ' HG3' ' A' ' 14' ' ' ARG . 58.8 ttp180 -84.71 -77.97 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 6.48 110.992 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HG3' ' HG2' ' A' ' 13' ' ' ARG . 86.1 mtm180 -140.67 88.04 11.05 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 6.47 110.891 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -83.69 130.84 5.24 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.628 2.219 . . . . 2.39 112.524 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -104.43 128.07 52.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.465 . . . . 2.2 110.936 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.4 t -131.34 176.96 7.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 1.35 110.714 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -51.06 -25.3 3.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.195 -0.457 . . . . 0.44 111.145 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.88 -57.98 10.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.128 -0.487 . . . . 0.37 110.807 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.47 -35.6 80.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 2.51 110.258 179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 17' ' ' SER . 70.2 t -57.17 -25.52 23.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.847 -0.615 . . . . 0.42 110.878 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -55.41 -53.83 51.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.059 0.457 . . . . 2.37 110.554 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.13 87.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.894 -0.594 . . . . 0.35 110.612 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.4 tp -55.53 -52.57 63.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 0.54 110.978 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.67 ' HA ' HG22 ' A' ' 28' ' ' VAL . 33.8 m -65.76 -28.62 44.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.343 -0.389 . . . . 1.22 110.853 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.48 -22.03 64.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.199 0.523 . . . . 1.65 109.881 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.35 -32.7 18.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.685 -0.689 . . . . 0.44 111.696 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 25' ' ' VAL . 13.0 m -85.99 -18.57 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 112.767 0.655 . . . . 0.33 112.767 -178.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.53 -10.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.978 0.362 . . . . 0.73 111.978 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.611 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 55.6 pttt -100.83 -42.77 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.936 0.347 . . . . 1.78 111.936 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -124.86 31.97 5.54 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.885 0.374 . . . . 0.99 111.587 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -80.55 -165.45 32.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.827 -0.701 . . . . 0.31 112.734 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.451 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.3 m -149.79 -44.64 0.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.651 0.262 . . . . 1.39 111.03 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' HA2' HH21 ' A' ' 35' ' ' ARG . . . -162.71 17.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.585 -0.817 . . . . 0.48 112.773 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 HH21 ' HA2' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 47.51 17.86 0.09 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.982 0.42 . . . . 4.45 111.574 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 20.0 p-90 -58.29 -47.21 84.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 3.87 111.336 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -62.98 -34.04 76.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 3.51 111.236 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.42 -61.26 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 2.19 110.905 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG12 ' HB2' ' A' ' 46' ' ' ASP . 18.9 t -58.35 -26.15 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 1.61 111.077 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' HB3' HD12 ' A' ' 41' ' ' LEU . 81.8 mttt -67.3 -45.75 75.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 2.16 110.77 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 40' ' ' LYS . 7.6 mp -112.28 24.89 12.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 1.94 111.078 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 48.9 t -55.91 -45.51 78.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.002 0.429 . . . . 1.02 110.398 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -178.13 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.569 -0.741 . . . . 0.84 110.996 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 66.17 14.8 9.82 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 108.456 -0.942 . . . . 3.45 108.456 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.31 -44.84 12.49 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.716 -1.129 . . . . 2.1 111.199 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' HB2' HG12 ' A' ' 39' ' ' VAL . 10.2 m-20 -119.74 26.42 9.35 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.252 -0.431 . . . . 0.83 110.817 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.0 0.37 1.92 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.976 -0.556 . . . . 0.98 111.54 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -114.09 -9.1 12.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.516 -0.311 . . . . 2.33 110.981 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.4 m80 63.6 113.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.095 -0.502 . . . . 3.59 111.128 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.482 ' HE ' ' HB3' ' A' ' 54' ' ' ASP . 57.6 ttp180 -90.84 -57.75 2.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 5.44 111.312 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 12.2 m -157.24 158.82 36.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.516 -0.311 . . . . 1.01 110.624 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.8 OUTLIER -62.76 -46.62 87.18 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 111.576 0.213 . . . . 0.57 111.576 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.451 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 59.6 t -76.86 -40.95 32.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 C-N-CA 120.997 -0.281 . . . . 0.4 110.648 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' HB3' ' HE ' ' A' ' 50' ' ' ARG . 1.4 m-20 -56.94 -44.94 83.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.042 0.449 . . . . 0.65 109.836 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HG ' HG11 ' A' ' 39' ' ' VAL . 6.9 tt -64.62 -36.25 83.63 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.024 -0.732 . . . . 1.81 109.024 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -68.04 -26.32 65.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.352 -0.84 . . . . 2.86 110.066 178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -73.77 -38.9 64.53 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.917 -0.583 . . . . 2.04 110.463 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -65.84 -34.39 78.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 2.38 110.175 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.439 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 2.1 t-105 -74.84 -50.46 17.02 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.823 -0.626 . . . . 0.57 110.018 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' HG3' HD23 ' A' ' 83' ' ' LEU . 10.3 tmtt? -57.01 -40.91 77.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.744 -0.662 . . . . 1.06 110.971 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.5 m -72.28 -30.96 65.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.021 -0.536 . . . . 0.97 111.297 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD21 HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -66.93 -31.23 71.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.743 0.306 . . . . 1.27 110.86 -179.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -89.19 -40.93 13.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 0.47 111.12 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.481 ' HB2' HD13 ' A' ' 82' ' ' LEU . 0.0 OUTLIER -63.18 -33.35 75.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.8 0.334 . . . . 1.24 110.287 179.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.5 t -79.38 -17.54 54.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 1.18 111.369 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.96 -75.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.252 -0.431 . . . . 0.84 111.248 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -160.97 19.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.366 -0.379 . . . . 3.29 111.339 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.469 HD11 ' NH1' ' A' ' 85' ' ' ARG . 48.7 mm -61.74 -27.46 42.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.404 -0.362 . . . . 1.01 110.635 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . 51.3 m 46.93 69.17 2.84 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 115.877 -0.602 . . . . 1.82 111.251 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.4 -28.5 8.48 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.751 2.301 . . . . 1.61 112.298 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.44 ' NE2' ' HA2' ' A' ' 75' ' ' GLY . 0.0 OUTLIER -103.0 -27.64 12.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 4.66 110.879 -179.712 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.448 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 78.4 mt-30 -85.2 19.53 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 6.4 111.363 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -134.48 99.41 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 6.51 111.08 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 60.16 8.14 1.43 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 8.11 111.531 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.44 ' HA2' ' NE2' ' A' ' 71' ' ' GLN . . . 53.09 62.44 5.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.848 -0.691 . . . . 4.13 112.663 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -73.32 151.24 89.85 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.424 0.154 . . . . 6.42 110.906 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.59 -87.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.285 1.99 . . . . 2.76 112.359 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.4 m -92.96 115.92 65.7 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.283 -0.417 . . . . 2.36 110.995 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.5 ' HB2' HD11 ' A' ' 82' ' ' LEU . 71.9 Cg_endo -76.93 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.242 1.961 . . . . 1.56 112.535 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.451 ' CD ' ' H ' ' A' ' 80' ' ' GLN . 5.6 pm0 -96.26 -35.64 11.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 3.3 110.818 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -42.23 -37.36 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.208 -0.906 . . . . 2.78 112.351 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -68.06 -59.81 2.97 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 120.686 0.279 . . . . 1.25 110.958 -179.435 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.444 HD23 ' HG3' ' A' ' 60' ' ' LYS . 56.6 mt -59.38 -24.56 63.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.841 0.353 . . . . 0.57 111.004 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -71.33 -50.21 34.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.065 -0.516 . . . . 1.44 110.881 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.469 ' NH1' HD11 ' A' ' 68' ' ' ILE . 5.1 ptm180 -71.35 -19.9 62.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.294 -0.412 . . . . 2.17 110.818 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 82' ' ' LEU . 49.3 t -75.67 -61.81 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.77 111.111 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 mp -61.02 -25.34 66.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.41 -0.359 . . . . 1.21 110.668 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -72.15 -48.93 39.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 1.17 110.228 179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.77 93.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.667 -0.697 . . . . 0.31 110.876 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.456 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 69.0 t60 -61.96 -55.67 27.04 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.061 0.458 . . . . 0.64 110.341 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.59 -28.04 59.33 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.714 -0.755 . . . . 0.31 111.706 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 96' ' ' GLN . 33.1 t80 -65.73 -49.87 66.9 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.656 -0.128 . . . . 0.34 110.656 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 9.5 m0 -56.95 -56.51 20.73 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.226 0.536 . . . . 0.32 110.099 179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.4 p -55.44 -41.02 72.29 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.586 -0.733 . . . . 0.53 111.101 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.89 -9.36 59.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 1.95 110.457 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 92' ' ' TYR . 43.8 tt0 -78.96 -29.23 43.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 3.18 109.865 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 66.24 29.04 9.83 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.465 -0.789 . . . . 2.2 110.669 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 26.8 ttt 56.37 63.32 2.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.817 -0.628 . . . . 2.39 110.751 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.456 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 36.0 tt0 51.6 78.68 0.11 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.0 -0.546 . . . . 4.42 111.046 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -132.56 -35.25 1.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 4.74 110.828 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.6 tp -106.41 -34.97 7.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 5.61 110.852 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -136.62 143.45 43.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 7.84 110.885 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -137.69 -2.99 1.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.456 . . . . 8.28 110.991 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -92.83 79.92 4.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 6.74 110.805 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.401 ' OXT' HG13 ' A' ' 105' ' ' VAL . 2.8 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.091 -0.956 . . . . 4.85 111.125 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.724 0.297 . . . . 10.3 110.954 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -144.77 27.83 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 10.1 111.048 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -55.43 129.09 37.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 7.28 110.941 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.1 mm -76.13 144.92 11.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.105 -0.498 . . . . 6.21 110.982 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.569 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -73.88 -160.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 6.48 110.545 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.614 ' HB3' ' HD3' ' A' ' 15' ' ' PRO . 47.2 ttp180 -145.57 -51.54 0.02 OUTLIER Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.467 -0.333 . . . . 6.47 111.701 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 14' ' ' ARG . 70.7 Cg_exo -51.46 -60.04 0.93 Allowed 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 122.147 1.898 . . . . 2.39 112.496 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -133.44 147.04 51.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 2.2 111.275 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.2 p -143.85 174.3 10.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.96 -0.564 . . . . 1.35 110.507 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.17 -29.65 12.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.917 0.389 . . . . 0.44 111.191 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.73 -50.93 72.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.18 -0.464 . . . . 0.37 110.906 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -68.38 -35.66 78.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.309 -0.405 . . . . 2.51 110.381 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 17' ' ' SER . 93.9 t -55.99 -31.44 30.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.42 110.613 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.3 tm-20 -51.36 -55.34 19.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.231 -0.44 . . . . 2.37 110.494 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.43 99.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.143 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.14 -25.41 65.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.709 -0.678 . . . . 0.54 110.138 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.517 HG13 ' CH2' ' A' ' 59' ' ' TRP . 10.6 t -76.88 -39.94 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 1.22 110.59 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.41 -21.51 66.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 1.65 110.346 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.85 -37.81 16.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.9 -0.591 . . . . 0.44 112.05 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.64 -17.96 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 112.857 0.688 . . . . 0.33 112.857 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.34 -10.33 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.913 0.338 . . . . 0.73 111.913 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -107.41 -46.76 3.78 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 111.866 0.321 . . . . 1.78 111.866 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -113.44 32.36 5.83 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.759 0.314 . . . . 0.99 111.444 -179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.8 -172.39 48.34 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.31 112.702 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.5 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 11.8 p -143.87 -42.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 1.39 110.865 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.08 24.78 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.008 -0.615 . . . . 0.48 112.438 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 5.5 ptm180 45.36 27.4 0.36 Allowed 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 122.714 0.405 . . . . 4.45 111.572 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -56.48 -45.92 80.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.133 0.492 . . . . 3.87 110.479 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.445 HH21 HG12 ' A' ' 28' ' ' VAL . 24.8 ptt180 -71.76 -33.38 68.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.868 -0.606 . . . . 3.51 110.998 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 5.5 m-20 -65.97 -56.53 11.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 2.19 110.653 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.595 HG21 HD12 ' A' ' 55' ' ' LEU . 13.0 p -58.74 -31.83 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.001 -0.545 . . . . 1.61 111.072 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HD3' ' NE2' ' A' ' 49' ' ' HIS . 21.2 mmmt -65.29 -45.69 83.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 2.16 111.34 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.417 HD22 ' HB3' ' A' ' 40' ' ' LYS . 3.7 mm? -112.59 25.18 11.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.482 -0.327 . . . . 1.94 111.425 -179.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 53.0 t -56.37 -45.18 80.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.867 0.365 . . . . 1.02 110.424 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 45' ' ' GLU . . . -179.45 25.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.641 -0.709 . . . . 0.84 111.207 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.8 t80 67.59 14.37 9.53 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.186 -1.042 . . . . 3.45 108.186 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.445 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 15.8 mm-40 -85.03 -51.18 6.85 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.558 -1.201 . . . . 2.1 110.975 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -116.88 29.91 7.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.996 0.426 . . . . 0.83 110.637 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.9 -1.68 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.003 -0.544 . . . . 0.98 111.705 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -118.31 5.14 11.85 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.64 -0.255 . . . . 2.33 111.036 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.429 ' NE2' ' HD3' ' A' ' 40' ' ' LYS . 77.3 m-70 63.17 118.75 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.125 -0.489 . . . . 3.59 111.12 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -101.97 -68.31 0.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.088 -0.506 . . . . 5.44 111.321 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -156.24 158.62 37.86 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.298 -0.41 . . . . 1.01 110.55 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.464 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.7 OUTLIER -64.23 -46.68 82.73 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 111.576 0.213 . . . . 0.57 111.576 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.464 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 57.4 t -73.6 -38.38 51.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.968 -0.293 . . . . 0.4 110.518 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -62.28 -43.11 99.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.152 0.501 . . . . 0.65 109.726 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.595 HD12 HG21 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.87 -38.83 86.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.551 -0.75 . . . . 1.81 109.244 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 59' ' ' TRP . 39.2 mmtt -79.81 -14.02 58.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.64 -0.709 . . . . 2.86 110.365 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.6 -43.03 70.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.825 -0.806 . . . . 2.04 108.825 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -78.66 -28.06 45.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.017 -0.992 . . . . 2.38 110.581 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.517 ' CH2' HG13 ' A' ' 25' ' ' VAL . 2.6 t-105 -73.97 -53.43 10.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 121.107 0.48 . . . . 0.57 109.725 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -58.64 -39.26 80.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.06 110.73 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.9 m -72.16 -30.28 64.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.127 0.489 . . . . 0.97 110.432 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.511 HD23 HG13 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -65.21 -35.41 80.97 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.634 -0.712 . . . . 1.27 110.701 179.826 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.511 HG13 HD23 ' A' ' 62' ' ' LEU . 17.8 m -88.74 -37.55 10.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.478 -0.328 . . . . 0.47 111.075 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.51 ' HA ' HG13 ' A' ' 68' ' ' ILE . 51.3 t60 -63.22 -35.68 81.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.021 -0.536 . . . . 1.24 111.014 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.0 m -85.24 -17.04 38.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 1.18 111.146 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.91 -85.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.84 111.504 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -148.7 20.22 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.51 -0.314 . . . . 3.29 111.267 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.51 HG13 ' HA ' ' A' ' 64' ' ' HIS . 44.4 mm -57.42 -29.33 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.431 -0.35 . . . . 1.01 110.74 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.1 m 48.1 77.64 0.45 Allowed Pre-proline 0 CA--C 1.53 0.209 0 CA-C-N 115.99 -0.55 . . . . 1.82 111.375 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -71.91 -13.44 29.15 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.671 2.247 . . . . 1.61 112.228 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -85.74 -39.54 17.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 4.66 111.201 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -61.34 -46.59 89.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.452 -0.34 . . . . 6.4 110.979 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.5 mtm180 57.38 93.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 6.51 111.224 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -96.4 11.73 33.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 8.11 110.673 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.82 160.94 11.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.918 -0.658 . . . . 4.13 112.299 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 64.91 153.85 0.12 Allowed Pre-proline 0 N--CA 1.463 0.19 0 CA-C-O 120.617 0.246 . . . . 6.42 111.199 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.45 -76.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.755 2.303 . . . . 2.76 112.784 -179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.0 m -87.78 151.8 50.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 2.36 111.358 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.597 ' HB2' HD21 ' A' ' 82' ' ' LEU . 72.6 Cg_endo -76.11 82.89 2.09 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.395 2.063 . . . . 1.56 112.454 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -96.91 -28.26 14.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.531 0.682 . . . . 3.3 110.465 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -41.21 -40.78 1.67 Allowed 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.303 -1.317 . . . . 2.78 112.921 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -57.78 -60.73 3.26 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 120.779 -0.368 . . . . 1.25 111.56 -179.286 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.9 mt -66.75 -24.65 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.57 111.133 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.28 -48.1 62.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 1.44 111.242 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -73.46 -23.51 60.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.377 -0.374 . . . . 2.17 111.281 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 82' ' ' LEU . 45.2 t -72.99 -58.51 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.561 -0.29 . . . . 0.77 111.211 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.37 -29.67 70.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.21 110.839 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -72.16 -50.99 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 1.17 110.619 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.97 -44.75 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.963 -0.562 . . . . 0.31 111.232 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.477 ' HB2' ' NZ ' ' A' ' 56' ' ' LYS . 45.8 t60 -62.13 -55.92 23.97 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-O 121.207 0.527 . . . . 0.64 110.328 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.21 -25.08 61.9 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.628 -0.796 . . . . 0.31 111.646 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 96' ' ' GLN . 35.5 t80 -67.15 -50.69 60.33 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.56 -0.163 . . . . 0.34 110.56 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.5 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 7.4 m0 -57.23 -56.03 27.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.233 0.54 . . . . 0.32 110.131 179.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.2 p -55.07 -39.4 69.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.578 -0.737 . . . . 0.53 111.038 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -86.4 -7.15 58.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 1.95 110.539 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 92' ' ' TYR . 62.5 tt0 -80.5 -28.71 37.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.962 -0.563 . . . . 3.18 110.095 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 61.59 43.17 10.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.795 -0.639 . . . . 2.2 110.506 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 56.2 ttp 61.29 76.15 0.38 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.647 -0.706 . . . . 2.39 111.33 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 58.99 9.99 1.42 Allowed 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.929 -0.578 . . . . 4.42 112.046 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.688 ' HG3' ' H ' ' A' ' 102' ' ' GLN . 13.9 pt20 39.62 -155.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 O-C-N 123.374 0.421 . . . . 4.74 111.688 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 84.0 mt -101.38 19.08 18.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.539 -0.3 . . . . 5.61 111.042 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.688 ' H ' ' HG3' ' A' ' 100' ' ' GLN . 44.7 tt0 -150.22 170.78 18.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 7.84 110.564 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.468 ' H ' ' HG2' ' A' ' 102' ' ' GLN . 9.4 tt0 62.28 91.06 0.07 Allowed 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.94 0.4 . . . . 8.28 111.0 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -98.19 73.46 2.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 6.74 110.453 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.533 -0.746 . . . . 4.85 111.41 179.568 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.795 0.331 . . . . 10.3 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -96.45 -31.77 12.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 10.1 110.901 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.554 ' HE ' ' H ' ' A' ' 12' ' ' ILE . 6.9 tpm_? -79.92 131.06 35.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 7.28 110.803 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.554 ' H ' ' HE ' ' A' ' 11' ' ' ARG . 43.5 pt -97.71 176.89 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 6.21 111.183 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -118.81 0.72 11.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 6.48 110.929 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 7.0 mpt_? -88.16 150.78 47.97 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 6.47 110.727 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.17 -37.54 5.87 Favored 'Trans proline' 0 C--N 1.348 0.541 0 C-N-CA 122.327 2.018 . . . . 2.39 112.232 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -133.33 162.4 31.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 2.2 111.008 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p -152.09 177.04 10.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.901 -0.59 . . . . 1.35 110.448 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.95 -35.4 22.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 0.44 110.92 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' O ' ' HG2' ' A' ' 22' ' ' GLU . . . -56.7 -37.92 71.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.957 -0.565 . . . . 0.37 110.518 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.76 -25.89 26.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 2.51 110.123 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' VAL . 44.3 t -58.12 -35.17 51.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 115.675 -0.693 . . . . 0.42 110.912 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 23' ' ' ALA . 11.8 pt-20 -49.1 -49.61 41.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.018 0.437 . . . . 2.37 110.127 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 22' ' ' GLU . . . -63.43 -42.08 98.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.792 -0.64 . . . . 0.35 109.692 178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.9 -28.53 66.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.688 -0.687 . . . . 0.54 110.099 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' HA ' HG22 ' A' ' 28' ' ' VAL . 76.6 t -72.8 -41.33 61.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.014 -0.539 . . . . 1.22 110.288 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.407 ' C ' ' HG2' ' A' ' 29' ' ' GLU . 36.0 tt0 -66.83 -20.14 65.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.97 -0.559 . . . . 1.65 110.44 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.465 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . . . -88.1 -39.02 14.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.62 . . . . 0.44 111.938 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.464 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.9 m -85.69 -17.81 9.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 112.807 0.669 . . . . 0.33 112.807 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG2' ' C ' ' A' ' 26' ' ' GLN . 3.4 pt-20 -54.43 -15.81 1.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.853 0.316 . . . . 0.73 111.853 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' NZ ' ' HA ' ' A' ' 27' ' ' ALA . 18.5 pttm -105.25 -47.9 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.778 0.288 . . . . 1.78 111.778 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 pp -104.71 28.24 7.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.79 0.329 . . . . 0.99 111.428 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.33 173.18 20.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.815 -0.707 . . . . 0.31 112.762 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 56.7 m -154.55 -35.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.322 . . . . 1.39 111.175 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.37 30.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.48 112.463 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' HE ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER 45.48 25.23 0.22 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 122.77 0.428 . . . . 4.45 111.633 179.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -59.4 -48.87 79.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.955 0.407 . . . . 3.87 110.284 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -64.48 -31.39 72.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.913 -0.585 . . . . 3.51 110.314 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 42' ' ' CYS . 11.1 t70 -65.83 -63.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.598 -0.728 . . . . 2.19 110.718 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -52.72 -27.24 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 1.61 111.092 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -69.15 -54.85 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.299 -0.41 . . . . 2.16 111.67 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.5 tp -113.85 25.94 10.76 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.001 0.371 . . . . 1.94 112.001 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 38' ' ' ASP . 52.0 t -50.47 -45.89 56.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.128 0.489 . . . . 1.02 109.921 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 176.73 26.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.159 -0.928 . . . . 0.84 110.975 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.7 t80 67.04 10.93 8.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 107.827 -1.175 . . . . 3.45 107.827 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -85.96 -48.49 8.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 114.489 -1.232 . . . . 2.1 111.329 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -110.12 24.67 12.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.295 -0.411 . . . . 0.83 110.982 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -7.39 18.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.98 111.107 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -107.31 -8.06 16.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 2.33 110.786 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 63.74 110.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.085 -0.507 . . . . 3.59 111.04 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -93.98 -66.0 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 5.44 111.137 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 15.0 m -153.57 154.21 33.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.01 110.744 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.455 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.26 -45.76 93.19 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.829 0.307 . . . . 0.57 111.829 -179.512 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 74.1 t -77.3 -43.65 30.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 121.005 -0.278 . . . . 0.4 110.956 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.51 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.8 m-20 -55.14 -50.27 69.71 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.03 0.443 . . . . 0.65 110.09 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.466 HD12 ' HE ' ' A' ' 35' ' ' ARG . 3.0 tm? -62.31 -37.46 85.65 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.285 -0.635 . . . . 1.81 109.285 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -66.23 -25.71 67.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.801 -0.636 . . . . 2.86 110.059 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 48.7 m-20 -72.48 -39.41 67.74 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.982 -0.554 . . . . 2.04 110.243 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.08 -33.56 76.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 2.38 110.196 179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -75.54 -45.53 37.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.612 -0.722 . . . . 0.57 110.379 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -63.29 -33.94 76.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.623 -0.717 . . . . 1.06 111.075 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.653 ' HA ' ' ND1' ' A' ' 64' ' ' HIS . 15.0 t -79.85 -28.07 40.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.504 . . . . 0.97 110.481 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.55 -0.75 . . . . 1.27 110.538 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.78 -36.42 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.47 112.181 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.653 ' ND1' ' HA ' ' A' ' 61' ' ' THR . 0.5 OUTLIER -75.95 -32.53 59.58 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.667 -0.413 . . . . 1.24 110.689 -179.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.3 m -78.87 -17.22 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 1.18 110.375 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -53.54 -72.38 0.06 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.94 -0.573 . . . . 0.84 111.308 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HB2' ' NZ ' ' A' ' 67' ' ' LYS . 3.7 ttmp? -164.01 19.86 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.547 -0.297 . . . . 3.29 111.392 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 64' ' ' HIS . 27.4 mt -74.2 -20.15 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 1.01 110.546 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.7 m 51.62 75.04 0.69 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.928 -0.578 . . . . 1.82 111.409 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HG2' ' H ' ' A' ' 71' ' ' GLN . 59.0 Cg_endo -73.07 -63.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.573 2.182 . . . . 1.61 112.457 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.445 ' H ' ' HG2' ' A' ' 70' ' ' PRO . 4.5 pt20 -105.26 -11.96 16.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.297 -0.411 . . . . 4.66 111.195 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -58.87 -47.4 85.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.354 -0.384 . . . . 6.4 111.039 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -162.54 103.25 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.307 -0.406 . . . . 6.51 110.909 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.435 ' NE ' ' HA ' ' A' ' 74' ' ' ARG . 7.2 tpm_? -167.2 -55.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 8.11 110.868 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 101.19 41.09 2.67 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 120.807 -0.711 . . . . 4.13 112.429 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -122.19 152.46 60.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.527 0.203 . . . . 6.42 110.807 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.71 -85.94 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.399 2.066 . . . . 2.76 112.396 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -91.43 131.45 36.28 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 2.36 110.939 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.6 ' HB2' HD21 ' A' ' 82' ' ' LEU . 59.6 Cg_endo -71.91 86.3 0.92 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.428 2.086 . . . . 1.56 112.247 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.65 -29.8 13.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 3.3 111.544 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.548 ' HG3' HD23 ' A' ' 82' ' ' LEU . 12.3 pt-20 -48.79 -54.04 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 2.78 111.516 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -50.59 -57.45 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.07 -0.514 . . . . 1.25 111.446 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 55.1 mt -54.07 -34.12 59.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.731 0.3 . . . . 0.57 111.203 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -65.56 -50.7 64.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.44 111.195 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HD2' HD13 ' A' ' 68' ' ' ILE . 17.6 ptp180 -71.14 -20.31 62.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 2.17 111.019 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 82' ' ' LEU . 27.0 t -70.99 -61.75 1.56 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.305 -0.407 . . . . 0.77 110.643 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 mp -62.09 -25.11 67.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 1.21 110.378 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -67.38 -48.74 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.135 0.493 . . . . 1.17 110.051 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.7 98.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.58 -0.737 . . . . 0.31 110.893 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.63 -55.66 28.18 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.954 0.407 . . . . 0.64 110.311 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.74 -33.71 55.78 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.647 -0.787 . . . . 0.31 111.666 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 96' ' ' GLN . 23.8 t80 -61.86 -48.33 81.0 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.533 -0.173 . . . . 0.34 110.533 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -55.93 -57.94 10.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.14 0.495 . . . . 0.32 110.32 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 74.9 p -58.12 -33.95 69.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.525 -0.761 . . . . 0.53 111.668 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -90.61 -6.66 54.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.348 -0.387 . . . . 1.95 111.026 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 92' ' ' TYR . 6.2 tp-100 -87.45 -26.68 23.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.946 0.403 . . . . 3.18 110.357 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 68.23 31.16 5.35 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 115.648 -0.705 . . . . 2.2 110.678 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 42.5 ttm 58.92 23.9 11.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.862 -0.608 . . . . 2.39 110.982 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 55.95 64.35 1.75 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.102 -0.499 . . . . 4.42 110.884 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 59.91 33.37 21.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.173 -0.467 . . . . 4.74 110.962 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 101' ' ' LEU . 7.2 mp 60.94 20.38 10.71 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.066 -0.516 . . . . 5.61 111.218 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.61 HE21 ' HA ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -90.52 108.36 19.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.393 -0.367 . . . . 7.84 110.809 179.803 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -96.74 -5.63 38.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 8.28 111.007 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -87.41 80.43 8.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 6.74 110.757 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.5 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.22 -0.895 . . . . 4.85 111.041 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.811 0.339 . . . . 10.3 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.558 ' HD3' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -118.26 1.03 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 10.1 110.784 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -118.41 98.56 6.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 7.28 110.68 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 12' ' ' ILE . 4.7 mp -123.88 135.67 62.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 6.21 111.041 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -137.79 -176.14 4.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.991 -0.55 . . . . 6.48 110.66 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' O ' ' HD2' ' A' ' 14' ' ' ARG . 3.4 ppt_? -152.74 152.21 28.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 6.47 111.15 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.26 -53.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.584 2.189 . . . . 2.39 112.484 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -100.02 163.79 12.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.285 -0.416 . . . . 2.2 111.168 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 47.2 t -149.28 162.4 40.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.56 . . . . 1.35 110.597 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.39 -31.82 12.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.896 0.379 . . . . 0.44 110.882 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.48 -48.97 79.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.075 -0.511 . . . . 0.37 110.466 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -65.16 -35.5 81.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.704 -0.68 . . . . 2.51 110.37 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 25' ' ' VAL . 60.4 t -58.56 -32.15 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.783 -0.644 . . . . 0.42 110.561 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 40.2 tt0 -49.66 -57.28 7.51 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.226 -0.443 . . . . 2.37 110.412 179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.19 -42.11 94.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.35 110.036 179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 tp -59.56 -26.3 65.27 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.75 -0.659 . . . . 0.54 110.276 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' A' ' 28' ' ' VAL . 25.2 t -75.99 -40.33 37.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.94 -0.573 . . . . 1.22 110.377 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.02 -21.49 66.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 1.65 110.424 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.77 -37.53 16.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.917 -0.583 . . . . 0.44 112.098 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.5 m -85.66 -18.29 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 N-CA-C 112.729 0.64 . . . . 0.33 112.729 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -58.51 -10.33 2.13 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.901 0.334 . . . . 0.73 111.901 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.572 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -106.14 -47.69 3.77 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.77 0.285 . . . . 1.78 111.77 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.572 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.7 pp -113.72 32.98 5.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.814 0.34 . . . . 0.99 111.454 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.99 -177.5 51.87 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.749 -0.739 . . . . 0.31 112.795 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.436 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 60.0 m -151.97 -40.88 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.781 0.324 . . . . 1.39 110.973 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -167.07 19.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.836 -0.697 . . . . 0.48 112.607 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 43.26 25.01 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 122.782 0.433 . . . . 4.45 111.386 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.436 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 7.9 p-90 -59.14 -41.71 88.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 3.87 111.118 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.75 -33.08 71.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.928 0.394 . . . . 3.51 110.517 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 42' ' ' CYS . 3.9 m-20 -66.61 -53.97 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.91 -0.586 . . . . 2.19 110.968 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.587 HG21 HD12 ' A' ' 55' ' ' LEU . 12.5 p -60.67 -30.79 47.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.291 -0.413 . . . . 1.61 111.208 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -66.79 -46.22 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 2.16 111.192 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.79 25.22 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.476 -0.329 . . . . 1.94 111.579 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' SG ' HG21 ' A' ' 21' ' ' VAL . 41.6 t -52.3 -46.08 65.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.122 0.487 . . . . 1.02 109.905 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 179.93 24.99 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.32 -0.855 . . . . 0.84 111.046 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.5 t80 69.03 8.76 7.04 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 108.199 -1.037 . . . . 3.45 108.199 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.98 -51.49 6.32 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 114.566 -1.197 . . . . 2.1 111.228 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.05 25.94 8.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.83 110.996 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.11 -8.75 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.98 111.043 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -103.87 -8.0 20.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 2.33 110.757 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.1 m80 63.34 109.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.992 -0.549 . . . . 3.59 111.162 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -73.45 -76.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 5.44 110.959 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.497 HG22 ' HD1' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -158.06 175.95 13.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.272 -0.422 . . . . 1.01 110.483 179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' HD1' HG22 ' A' ' 51' ' ' THR . 0.7 OUTLIER -63.76 -47.47 80.86 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 111.647 0.24 . . . . 0.57 111.647 -179.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.438 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 99.2 t -78.44 -39.1 23.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.837 -0.345 . . . . 0.4 110.693 179.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -58.74 -40.74 84.68 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.136 0.494 . . . . 0.65 109.913 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD12 HG21 ' A' ' 39' ' ' VAL . 5.9 tt -67.16 -46.06 75.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.64 -0.709 . . . . 1.81 109.604 178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -68.34 -16.84 64.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 2.86 110.1 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -75.13 -48.83 21.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 2.04 109.99 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -63.07 -31.26 72.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.624 -0.717 . . . . 2.38 110.282 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.404 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.7 t-105 -75.4 -48.18 24.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.737 -0.665 . . . . 0.57 110.226 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.528 ' HD2' HD13 ' A' ' 82' ' ' LEU . 1.6 ttpm? -55.74 -40.39 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.731 -0.668 . . . . 1.06 110.387 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.4 ' HA ' ' HB3' ' A' ' 64' ' ' HIS . 36.1 m -77.15 -25.24 51.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.712 -0.676 . . . . 0.97 110.364 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.68 -43.73 97.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.641 -0.709 . . . . 1.27 110.205 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.505 ' O ' HG12 ' A' ' 68' ' ' ILE . 18.1 m -83.98 -43.24 17.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.824 -0.625 . . . . 0.47 110.697 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 61' ' ' THR . 13.4 t-160 -50.22 -53.6 27.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.045 -0.525 . . . . 1.24 110.673 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.3 m -57.39 -27.46 62.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.727 -0.669 . . . . 1.18 111.704 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 63' ' ' VAL . . . -59.96 -88.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.619 -0.264 . . . . 0.84 111.233 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -152.82 24.47 0.57 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.715 -0.22 . . . . 3.29 111.377 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 63' ' ' VAL . 46.7 mm -60.26 -30.42 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.972 -0.291 . . . . 1.01 110.558 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.8 t 39.77 71.51 1.17 Allowed Pre-proline 0 CA--C 1.531 0.219 0 CA-C-N 115.933 -0.576 . . . . 1.82 111.55 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.445 ' HG2' HD23 ' A' ' 82' ' ' LEU . 10.9 Cg_exo -71.83 -1.26 9.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.82 2.347 . . . . 1.61 112.289 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.633 HE21 ' H ' ' A' ' 75' ' ' GLY . 14.0 mm100 -105.07 -48.07 3.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.275 -0.42 . . . . 4.66 111.152 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 71' ' ' GLN . 15.5 mm100 71.95 -23.08 0.19 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.029 -0.532 . . . . 6.4 111.387 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.487 ' H ' ' C ' ' A' ' 71' ' ' GLN . 16.2 ptm180 -178.78 29.79 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.241 -0.436 . . . . 6.51 110.509 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 61.46 93.75 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.034 -0.53 . . . . 8.11 110.504 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.633 ' H ' HE21 ' A' ' 71' ' ' GLN . . . -70.19 -110.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.843 -0.694 . . . . 4.13 112.625 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.644 ' H ' ' HD2' ' A' ' 77' ' ' PRO . 10.3 tp10 -167.8 -51.61 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 N-CA-C 111.617 0.228 . . . . 6.42 111.617 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.644 ' HD2' ' H ' ' A' ' 76' ' ' GLU . 62.7 Cg_endo -71.93 -98.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.938 1.758 . . . . 2.76 112.672 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.7 m -149.85 152.97 35.44 Favored Pre-proline 0 CA--C 1.53 0.194 0 CA-C-N 116.798 -0.183 . . . . 2.36 111.263 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -74.2 103.01 1.6 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.517 2.144 . . . . 1.56 112.134 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -96.28 -26.81 15.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.453 . . . . 3.3 111.182 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -51.14 -47.46 62.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.913 -0.585 . . . . 2.78 111.643 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.73 HD12 ' N ' ' A' ' 83' ' ' LEU . 1.1 pp -58.38 -36.35 73.37 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.623 -0.262 . . . . 1.25 111.573 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.73 ' N ' HD12 ' A' ' 82' ' ' LEU . 19.4 mt -77.64 -29.09 51.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.751 0.31 . . . . 0.57 111.205 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -71.15 -50.42 33.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.301 -0.409 . . . . 1.44 111.379 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' NE ' HD12 ' A' ' 68' ' ' ILE . 13.1 ptm180 -71.68 -31.26 66.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.399 -0.364 . . . . 2.17 111.811 -179.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.49 HG21 ' HA ' ' A' ' 60' ' ' LYS . 5.0 t -70.18 -57.2 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.655 0.264 . . . . 0.77 111.178 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.84 -30.61 67.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.955 0.407 . . . . 1.21 110.276 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -73.55 -41.33 63.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.907 -0.588 . . . . 1.17 110.217 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.42 -56.41 21.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.606 -0.725 . . . . 0.31 110.924 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -58.94 -51.41 70.17 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.243 0.544 . . . . 0.64 110.189 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.77 -30.95 57.56 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.386 -0.824 . . . . 0.31 111.833 179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.85 -40.16 83.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.682 0.277 . . . . 0.34 110.294 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 40.0 m0 -58.72 -55.97 28.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.988 0.423 . . . . 0.32 110.51 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -67.22 -48.52 67.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.77 -0.65 . . . . 0.53 112.216 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -68.24 -64.33 0.88 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.147 0.425 . . . . 1.95 112.147 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 19.6 tp60 -64.27 -18.4 64.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.018 -0.273 . . . . 3.18 111.334 -178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 57.37 70.0 0.69 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.284 -0.416 . . . . 2.2 111.343 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 99' ' ' GLN . 65.8 mtt 52.99 55.73 8.54 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.024 -0.535 . . . . 2.39 111.436 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 98' ' ' MET . 64.6 tt0 74.05 -37.29 0.36 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.065 -0.516 . . . . 4.42 111.741 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -169.95 -76.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.762 0.315 . . . . 4.74 110.748 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 176.7 -30.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.868 -0.606 . . . . 5.61 109.583 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.625 ' HG3' ' H ' ' A' ' 104' ' ' ASN . 56.9 tp60 -63.58 140.53 58.88 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.528 -0.76 . . . . 7.84 110.83 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -62.88 -29.02 70.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 8.28 111.039 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.625 ' H ' ' HG3' ' A' ' 102' ' ' GLN . 18.0 m120 -73.05 80.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 6.74 110.814 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.457 HG11 HD23 ' A' ' 31' ' ' LEU . 2.6 p . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.539 -0.743 . . . . 4.85 111.166 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.712 0.291 . . . . 10.3 110.706 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -49.71 -34.48 18.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 10.1 111.206 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -92.42 131.55 37.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 7.28 110.832 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mm -85.54 135.75 24.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 6.21 111.066 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -142.19 146.86 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 6.48 111.059 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.508 ' HA ' ' HE ' ' A' ' 14' ' ' ARG . 2.8 mmp_? -137.84 128.49 15.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.039 -0.528 . . . . 6.47 110.835 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -79.99 -38.44 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.471 2.114 . . . . 2.39 112.629 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -120.02 166.6 13.16 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.026 0.441 . . . . 2.2 111.317 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 21' ' ' VAL . 42.7 t -162.87 171.1 17.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.726 -0.67 . . . . 1.35 110.339 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -46.13 -35.66 2.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 CA-C-O 120.795 0.331 . . . . 0.44 111.485 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.85 84.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.37 110.842 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -71.35 -33.74 69.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 2.51 110.402 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 25' ' ' VAL . 65.2 t -56.21 -34.74 40.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.976 -0.556 . . . . 0.42 110.608 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -51.49 -54.9 22.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.229 -0.441 . . . . 2.37 110.309 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.48 -43.27 83.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.934 -0.576 . . . . 0.35 110.212 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 tp -58.09 -31.22 66.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.654 -0.703 . . . . 0.54 110.427 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.6 t -69.32 -42.57 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 1.22 110.377 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -66.78 -20.37 65.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.65 110.437 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.09 -36.06 17.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.44 112.002 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.472 HG22 ' HA ' ' A' ' 25' ' ' VAL . 34.6 m -85.99 -18.28 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 N-CA-C 112.794 0.664 . . . . 0.33 112.794 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -57.83 -10.28 1.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.01 0.374 . . . . 0.73 112.01 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.613 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 56.5 pttt -100.7 -47.76 4.73 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 111.863 0.32 . . . . 1.78 111.863 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.613 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -118.6 32.56 6.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.774 0.321 . . . . 0.99 111.498 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.8 -179.51 28.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.79 -0.719 . . . . 0.31 112.756 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.5 m -151.22 -37.94 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.737 0.303 . . . . 1.39 110.829 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 176.91 28.49 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.768 -0.73 . . . . 0.48 112.474 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER 44.39 28.94 0.34 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.709 0.29 . . . . 4.45 111.495 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.9 m95 -64.54 -48.91 73.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.107 0.479 . . . . 3.87 110.194 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.46 ' H ' ' HD2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -72.53 -26.51 61.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 3.51 110.726 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -57.22 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 2.19 110.241 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.71 HG21 HD11 ' A' ' 55' ' ' LEU . 32.7 m -61.36 -27.22 41.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.117 -0.492 . . . . 1.61 110.448 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -64.52 -51.75 61.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.793 -0.64 . . . . 2.16 111.362 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.7 mt -113.25 25.02 11.7 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.133 0.42 . . . . 1.94 112.133 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.8 p -57.9 -45.81 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.706 -0.479 . . . . 1.02 109.706 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 175.43 27.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.28 -0.873 . . . . 0.84 110.715 179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.1 t80 66.77 17.63 10.59 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 107.449 -1.315 . . . . 3.45 107.449 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.38 -54.66 4.45 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.043 -1.435 . . . . 2.1 111.164 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -97.99 17.05 19.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.83 110.777 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.03 -5.96 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.98 111.429 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -95.4 -25.78 16.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.546 -0.297 . . . . 2.33 110.569 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.3 m-70 55.34 95.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.864 -0.607 . . . . 3.59 111.324 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -71.28 -83.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 5.44 111.036 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -147.17 179.94 7.27 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.417 -0.356 . . . . 1.01 110.737 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.428 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.4 OUTLIER -60.69 -46.18 91.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.056 0.391 . . . . 0.57 112.056 -179.834 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 93.2 t -79.85 -40.36 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 C-N-CA 121.037 -0.265 . . . . 0.4 111.407 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.984 0.421 . . . . 0.65 110.437 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.71 HD11 HG21 ' A' ' 39' ' ' VAL . 9.7 tt -65.7 -51.64 57.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.917 -0.583 . . . . 1.81 110.112 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -63.72 -20.87 66.08 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 2.86 109.955 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -68.13 -50.92 51.64 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.535 -0.543 . . . . 2.04 109.535 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -61.37 -25.65 67.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.597 -0.729 . . . . 2.38 109.702 178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.5 t-105 -76.91 -47.48 20.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.522 -0.763 . . . . 0.57 109.993 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.515 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.4 ttpm? -58.59 -33.62 70.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.71 -0.677 . . . . 1.06 110.51 178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.436 ' HA ' ' HB3' ' A' ' 64' ' ' HIS . 42.3 m -82.71 -26.59 31.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.623 . . . . 0.97 109.778 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 tp -63.18 -35.48 80.45 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 1.27 109.948 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 68' ' ' ILE . 18.5 m -89.46 -42.97 14.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.987 -0.551 . . . . 0.47 110.37 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.543 ' HB2' HD13 ' A' ' 82' ' ' LEU . 14.1 t60 -53.26 -35.77 60.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.959 -0.564 . . . . 1.24 110.919 179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.7 m -88.58 -17.32 30.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 1.18 111.401 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.05 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.391 -0.368 . . . . 0.84 111.603 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 3.6 ttmp? -161.07 21.16 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.985 0.421 . . . . 3.29 110.971 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 63' ' ' VAL . 47.1 mm -58.59 -26.58 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 1.01 111.035 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' ' 72' ' ' GLN . 56.4 m 55.92 73.52 0.83 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 1.82 110.892 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -77.63 -65.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.998 2.466 . . . . 1.61 112.31 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -84.81 -2.91 58.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.139 -0.482 . . . . 4.66 111.042 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.481 ' HB2' ' HB3' ' A' ' 69' ' ' SER . 29.2 mm-40 -80.94 2.98 24.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 6.4 110.813 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -128.77 174.32 9.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.463 . . . . 6.51 110.906 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -97.97 160.06 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 8.11 110.94 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.85 -164.68 46.02 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 4.13 112.493 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' HA ' ' HD3' ' A' ' 77' ' ' PRO . 40.9 tt0 63.93 119.62 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 122.102 0.161 . . . . 6.42 111.098 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 76' ' ' GLU . 12.1 Cg_exo -71.25 -75.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.495 2.13 . . . . 2.76 112.166 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.439 HG23 ' HG3' ' A' ' 80' ' ' GLN . 28.4 m -115.97 150.96 45.95 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 2.36 111.182 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.502 ' HB2' HD11 ' A' ' 82' ' ' LEU . 58.8 Cg_endo -71.97 94.3 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.419 2.08 . . . . 1.56 112.288 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.439 ' HG3' HG23 ' A' ' 78' ' ' VAL . 49.4 mt-30 -96.2 -26.03 15.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 3.3 110.988 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -48.3 -35.6 12.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.787 -0.642 . . . . 2.78 111.614 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.585 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -65.09 -59.92 3.6 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.385 -0.371 . . . . 1.25 110.605 -179.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.0 mt -53.89 -36.36 62.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.57 110.902 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -64.65 -51.5 62.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.91 -0.586 . . . . 1.44 111.427 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -68.71 -20.02 64.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.639 -0.255 . . . . 2.17 111.603 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 82' ' ' LEU . 53.2 t -75.46 -61.5 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.648 0.261 . . . . 0.77 111.301 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 mp -65.51 -24.64 67.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.476 -0.329 . . . . 1.21 111.246 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -76.83 -55.75 5.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.468 -0.333 . . . . 1.17 110.694 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.84 -47.53 85.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.31 110.931 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.453 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 60.7 t60 -58.66 -55.69 31.77 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-O 121.209 0.528 . . . . 0.64 110.378 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.87 -31.89 61.6 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.741 -0.742 . . . . 0.31 111.846 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -67.57 -42.41 82.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.607 0.242 . . . . 0.34 110.675 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.453 ' CE3' ' HA ' ' A' ' 90' ' ' HIS . 26.7 m0 -58.0 -54.08 50.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.973 0.415 . . . . 0.32 110.299 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.0 p -67.11 -49.76 63.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.846 -0.616 . . . . 0.53 111.963 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -65.32 -62.06 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 1.95 111.705 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.479 ' HG3' ' H ' ' A' ' 99' ' ' GLN . 23.7 tp60 -61.35 -19.58 62.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.733 0.302 . . . . 3.18 111.018 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 59.53 44.91 14.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.256 -0.429 . . . . 2.2 111.016 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 67.0 mtm 58.89 45.88 14.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 2.39 110.863 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.479 ' H ' ' HG3' ' A' ' 96' ' ' GLN . 36.0 tt0 58.44 77.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.926 -0.579 . . . . 4.42 110.833 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 59.35 -174.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.912 -0.586 . . . . 4.74 111.08 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 101' ' ' LEU . 6.9 mp -98.73 -48.59 4.89 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 5.61 110.829 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.566 ' HG2' ' HG2' ' A' ' 103' ' ' GLN . 29.1 tt0 -68.18 141.89 55.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 7.84 110.768 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.566 ' HG2' ' HG2' ' A' ' 102' ' ' GLN . 29.6 mm-40 58.67 90.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 8.28 111.071 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -83.62 72.68 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 6.74 110.308 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.433 HG11 ' HD2' ' A' ' 30' ' ' LYS . 39.8 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.311 -0.852 . . . . 4.85 111.199 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.738 0.304 . . . . 8.02 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 58.47 19.4 6.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.119 -0.491 . . . . 10.69 111.138 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -86.41 131.98 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 8.17 110.941 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 15' ' ' PRO . 15.6 tt -105.27 144.37 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 6.48 111.053 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -81.36 98.5 8.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 7.85 111.026 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 10.2 mpt_? 54.14 85.4 0.19 Allowed Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.091 -0.504 . . . . 8.66 111.223 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.494 ' HB3' HG21 ' A' ' 12' ' ' ILE . 70.9 Cg_endo -75.53 -39.5 1.03 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.497 2.131 . . . . 2.37 112.365 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -85.99 161.14 19.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.094 -0.503 . . . . 1.42 111.222 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.417 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.2 p -166.74 -176.68 3.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.881 -0.6 . . . . 1.54 110.461 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -51.98 -32.61 15.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 120.897 0.379 . . . . 0.65 110.856 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.53 73.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.065 -0.516 . . . . 0.63 110.484 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.73 -35.63 81.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.568 . . . . 2.03 110.222 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 25' ' ' VAL . 92.0 t -56.05 -33.57 36.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.87 -0.604 . . . . 1.1 110.502 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.4 tm-20 -50.45 -53.73 27.46 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.186 -0.461 . . . . 2.29 110.16 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.73 96.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.45 110.006 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.1 tp -59.04 -27.49 65.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.669 -0.696 . . . . 0.63 110.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.502 ' HA ' HG22 ' A' ' 28' ' ' VAL . 40.4 t -73.44 -42.76 56.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 2.08 110.444 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.88 -21.66 66.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 2.43 110.537 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.6 -35.8 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.56 112.099 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.9 m -85.96 -18.49 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.601 0.593 . . . . 0.44 112.601 -178.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -63.24 -10.15 14.43 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.932 0.345 . . . . 1.13 111.932 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.596 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.2 ptpt -104.01 -45.39 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.181 0.437 . . . . 1.48 112.181 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.596 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.1 pp -122.24 32.14 5.91 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 111.878 0.325 . . . . 0.81 111.878 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -86.96 -173.58 48.85 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.656 -0.783 . . . . 0.33 112.76 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.535 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 58.2 m -141.17 -38.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.015 0.436 . . . . 1.33 110.646 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 35' ' ' ARG . . . -174.82 25.26 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.853 -0.612 . . . . 0.65 112.22 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.519 HH11 HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER 40.87 27.52 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.115 0.566 . . . . 4.26 111.817 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.443 ' O ' ' HD3' ' A' ' 40' ' ' LYS . 34.9 m95 -58.25 -44.28 88.26 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 4.61 110.317 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -68.72 -23.91 64.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.78 -0.645 . . . . 3.3 110.63 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 3.4 m-20 -73.8 -52.03 14.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.78 110.94 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.496 HG11 HD13 ' A' ' 55' ' ' LEU . 13.9 p -64.53 -30.58 50.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.442 -0.345 . . . . 2.01 111.333 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HB3' HD12 ' A' ' 41' ' ' LEU . 14.3 mptt -73.11 -41.85 63.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.465 -0.334 . . . . 3.34 111.236 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 40' ' ' LYS . 7.9 mp -112.77 24.74 12.11 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.877 0.325 . . . . 2.44 111.877 -179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 24.5 p -57.55 -46.05 84.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.157 0.503 . . . . 1.36 109.916 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -176.73 25.32 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.227 -0.897 . . . . 1.0 110.846 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 66.77 11.98 8.58 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.559 -0.904 . . . . 3.34 108.559 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -85.91 -51.8 6.14 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.613 -1.176 . . . . 2.12 111.389 -179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -105.76 24.24 12.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 1.46 111.077 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.71 -7.16 18.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.12 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -90.79 -0.04 57.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 2.25 110.986 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 37.81 94.23 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.602 0.564 . . . . 5.11 112.171 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -63.71 -69.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.961 -0.563 . . . . 5.96 111.098 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.509 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -160.0 178.6 9.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 0.99 110.611 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.509 ' H ' HG22 ' A' ' 51' ' ' THR . 0.9 OUTLIER -63.59 -48.04 79.02 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.083 -0.247 . . . . 0.59 111.589 -179.694 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.423 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 74.2 t -79.78 -37.59 18.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.611 0.243 . . . . 0.46 110.841 179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.51 -52.97 62.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.996 0.427 . . . . 0.71 110.519 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 HH11 ' A' ' 35' ' ' ARG . 0.4 OUTLIER -63.19 -37.73 88.4 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.571 -0.529 . . . . 1.69 109.571 179.218 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' N ' ' HG ' ' A' ' 55' ' ' LEU . 17.6 tppt? -66.37 -26.74 67.41 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.998 -0.546 . . . . 3.41 109.9 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -68.23 -48.02 66.25 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.702 -0.681 . . . . 2.08 109.712 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -56.61 -37.04 70.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 3.01 109.738 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.481 ' HB2' ' CZ ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -68.51 -45.84 71.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.689 -0.687 . . . . 0.75 109.968 179.004 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' HB2' HG21 ' A' ' 86' ' ' VAL . 5.1 tmtt? -58.73 -33.33 70.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.539 -0.755 . . . . 1.68 110.726 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.409 ' N ' ' HD3' ' A' ' 60' ' ' LYS . 57.6 m -84.6 -27.09 27.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.281 0.562 . . . . 1.2 110.111 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.69 -34.63 77.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.177 -0.92 . . . . 1.34 110.578 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.1 m -89.42 -31.81 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.035 -0.53 . . . . 0.56 111.198 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.486 ' HA ' HG13 ' A' ' 68' ' ' ILE . 76.4 t60 -69.73 -38.39 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 1.52 110.89 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.7 m -78.03 -17.35 57.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.086 -0.506 . . . . 1.74 111.028 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -74.02 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.022 -0.536 . . . . 0.64 111.409 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -161.68 19.98 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.531 -0.304 . . . . 3.49 111.344 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.486 HG13 ' HA ' ' A' ' 64' ' ' HIS . 46.3 mm -59.62 -28.08 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 1.25 110.766 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' A' ' 72' ' ' GLN . 53.0 m 53.98 92.58 0.06 OUTLIER Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 115.987 -0.551 . . . . 1.79 111.599 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.15 -5.16 14.94 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.78 2.32 . . . . 1.58 111.953 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 73' ' ' ARG . 29.2 mm-40 -105.36 27.69 8.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 3.37 111.381 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 69' ' ' SER . 43.0 mt-30 -65.15 1.57 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.499 -0.319 . . . . 4.29 111.392 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.585 ' HG2' ' H ' ' A' ' 74' ' ' ARG . 26.0 ttp180 60.87 -158.17 0.33 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.493 -0.321 . . . . 5.94 110.723 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.585 ' H ' ' HG2' ' A' ' 73' ' ' ARG . 80.6 mtp180 61.48 -173.55 0.14 Allowed 'General case' 0 C--O 1.231 0.1 0 CA-C-N 116.463 -0.335 . . . . 8.91 111.003 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.98 88.51 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.849 -0.691 . . . . 3.71 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -162.87 86.41 1.38 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.563 0.221 . . . . 5.92 110.861 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' HG2' ' H ' ' A' ' 78' ' ' VAL . 54.0 Cg_endo -71.63 -84.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.406 2.071 . . . . 1.99 112.316 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.431 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 47.5 t -87.75 133.78 37.03 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 1.82 110.831 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 78' ' ' VAL . 11.9 Cg_exo -70.95 94.91 0.64 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.477 2.118 . . . . 1.05 112.268 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -96.35 -24.49 16.14 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.498 . . . . 2.18 110.998 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -47.68 -38.06 14.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.806 -0.634 . . . . 1.84 111.609 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 83' ' ' LEU . 2.3 pp -60.67 -51.7 68.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.523 -0.308 . . . . 1.5 111.166 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 82' ' ' LEU . 16.9 mt -63.86 -30.99 72.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.74 110.986 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -68.57 -47.26 67.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 1.33 111.512 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -75.37 -29.51 59.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.469 -0.332 . . . . 2.4 111.878 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 82' ' ' LEU . 40.2 t -70.44 -52.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.691 0.281 . . . . 0.55 111.232 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.7 mt -67.39 -31.04 70.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 1.24 111.0 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -71.15 -57.81 4.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.296 -0.411 . . . . 1.18 110.821 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.93 -42.14 65.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.952 -0.567 . . . . 0.27 111.156 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.408 ' HA ' ' CE3' ' A' ' 93' ' ' TRP . 11.3 t-160 -61.42 -55.32 32.75 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.139 0.495 . . . . 1.32 110.39 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.14 -29.74 56.57 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.34 111.919 179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 96' ' ' GLN . 19.9 t80 -67.13 -47.12 72.06 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.526 -0.176 . . . . 0.4 110.526 179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.535 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 18.5 m0 -55.95 -55.52 31.71 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.502 . . . . 0.42 110.14 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.9 p -59.39 -48.89 79.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.739 -0.664 . . . . 0.5 110.958 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -69.38 -14.62 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 2.24 110.449 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.432 ' HB3' ' O ' ' A' ' 93' ' ' TRP . 6.7 tt0 -76.46 -33.68 58.72 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.665 -0.494 . . . . 3.17 109.665 179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' HB3' ' HG3' ' A' ' 99' ' ' GLN . 25.1 tt0 65.49 24.47 11.87 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.325 -0.852 . . . . 2.39 110.713 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 44.7 tpp 59.88 6.84 0.98 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.977 -0.556 . . . . 2.74 111.079 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.529 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . 46.7 mt-30 -82.15 -11.92 58.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.435 -0.348 . . . . 5.0 110.796 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 58.46 30.83 20.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.102 -0.499 . . . . 5.86 110.491 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 99' ' ' GLN . 83.7 mt -49.12 -33.17 11.35 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.035 -0.53 . . . . 4.78 111.21 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -113.29 108.12 16.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 5.82 110.785 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -91.64 5.26 50.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 5.22 110.965 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -80.71 80.26 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 5.65 110.801 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.281 -0.866 . . . . 4.19 111.054 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.662 0.268 . . . . 8.02 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 58.29 21.22 7.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.459 . . . . 10.69 110.984 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -60.31 154.35 20.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 8.17 110.802 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.0 mm -55.21 125.3 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 6.48 111.049 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -69.08 98.4 0.98 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 7.85 111.055 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -169.92 67.41 0.57 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 8.66 110.904 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.71 125.63 8.31 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.52 2.147 . . . . 2.37 112.328 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -94.98 141.9 28.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 1.42 111.014 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.4 m -131.75 179.79 5.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 1.54 110.674 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.527 ' O ' HG12 ' A' ' 21' ' ' VAL . 11.2 p -59.9 -25.99 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.142 0.496 . . . . 0.65 110.685 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.88 -37.78 85.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.945 -0.57 . . . . 0.63 110.402 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -79.06 -40.75 30.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.752 -0.658 . . . . 2.03 110.882 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 18' ' ' VAL . 2.8 p -61.29 -24.51 33.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.366 -0.379 . . . . 1.1 110.521 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HA ' HD11 ' A' ' 62' ' ' LEU . 36.8 tt0 -54.32 -49.1 70.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.378 0.608 . . . . 2.29 110.136 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.57 -37.26 73.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.644 -0.707 . . . . 0.45 110.364 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.65 -42.96 93.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.788 -0.642 . . . . 0.63 111.091 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' A' ' 28' ' ' VAL . 32.2 m -73.75 -27.0 22.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.414 -0.357 . . . . 2.08 110.811 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -73.82 -21.27 60.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 2.43 110.046 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.5 -38.48 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.783 -0.644 . . . . 0.56 111.55 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 25' ' ' VAL . 32.6 m -82.98 -18.06 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.363 -0.381 . . . . 0.44 111.974 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -22.94 2.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.672 0.272 . . . . 1.13 111.547 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.545 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 20.6 ptmt -96.91 -47.72 5.72 Favored 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.249 0.463 . . . . 1.48 112.249 -179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.545 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.5 pp -110.34 33.69 4.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.867 0.365 . . . . 0.81 111.567 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' VAL . . . -76.33 -175.19 39.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.87 -0.681 . . . . 0.33 112.782 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.516 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 62.4 m -157.12 -34.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.725 0.298 . . . . 1.33 110.948 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' C ' ' HG3' ' A' ' 35' ' ' ARG . . . -176.6 24.48 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.694 -0.765 . . . . 0.65 112.731 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HD3' ' HZ3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER 44.63 29.8 0.45 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.754 0.311 . . . . 4.26 111.361 179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -62.59 -47.96 81.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.177 0.513 . . . . 4.61 110.258 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -65.05 -36.82 85.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.777 -0.647 . . . . 3.3 110.43 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' CYS . 8.3 m-20 -63.77 -63.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.78 110.846 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.488 HG23 HD13 ' A' ' 55' ' ' LEU . 9.0 p -50.1 -30.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.41 -0.359 . . . . 2.01 111.549 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -68.3 -54.31 18.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.471 -0.331 . . . . 3.34 111.756 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 85.0 mt -113.6 26.04 10.73 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.143 0.423 . . . . 2.44 112.143 -178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' ASP . 41.4 t -51.63 -45.99 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.174 0.511 . . . . 1.36 110.035 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.18 25.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.157 -0.929 . . . . 1.0 111.006 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 47.5 t80 67.41 11.18 8.25 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.98 -1.118 . . . . 3.34 107.98 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -85.76 -47.7 9.5 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 114.496 -1.229 . . . . 2.12 111.357 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -113.4 25.44 11.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.311 -0.404 . . . . 1.46 111.095 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.62 11.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 1.56 111.261 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -108.33 -8.9 15.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.296 -0.411 . . . . 2.25 110.937 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 62.63 110.69 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.051 -0.522 . . . . 5.11 111.045 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -95.9 -69.42 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.041 -0.527 . . . . 5.96 111.223 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.48 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 17.5 m -149.73 155.06 39.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.99 110.754 -179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.75 -46.4 89.76 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 111.803 0.297 . . . . 0.59 111.803 -179.604 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.451 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 64.0 t -75.5 -42.05 42.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.954 -0.299 . . . . 0.46 110.781 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.48 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.4 m-20 -55.82 -47.62 76.86 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.068 0.461 . . . . 0.71 109.889 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.488 HD13 HG23 ' A' ' 39' ' ' VAL . 18.5 tp -62.58 -36.35 82.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.854 -0.612 . . . . 1.69 109.393 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HZ3' ' HD3' ' A' ' 35' ' ' ARG . 17.1 tppt? -69.32 -24.47 63.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.568 -0.742 . . . . 3.41 110.163 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -72.77 -43.21 63.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.962 -0.563 . . . . 2.08 110.349 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -69.85 -28.78 65.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.018 0.437 . . . . 3.01 110.077 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -72.49 -49.27 34.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.674 -0.693 . . . . 0.75 110.174 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' CB ' HG21 ' A' ' 86' ' ' VAL . 21.9 ptmt -68.5 -32.51 72.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.585 -0.734 . . . . 1.68 111.103 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.9 m -75.4 -25.29 57.48 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.47 0.653 . . . . 1.2 109.832 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.448 HD11 ' HA ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -73.44 -36.34 65.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.146 -0.934 . . . . 1.34 110.224 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.62 -24.55 5.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 115.953 -0.567 . . . . 0.56 111.234 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.53 ' HA ' HG13 ' A' ' 68' ' ' ILE . 66.0 t60 -75.99 -42.67 47.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.43 . . . . 1.52 110.685 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 48.0 m -74.08 -17.17 60.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.733 -0.667 . . . . 1.74 110.85 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.81 -71.94 0.06 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.96 -0.564 . . . . 0.64 111.439 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -164.67 29.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.442 -0.345 . . . . 3.49 111.312 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' A' ' 64' ' ' HIS . 40.6 mm -69.03 -25.72 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.375 -0.375 . . . . 1.25 110.787 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.1 m 50.97 73.83 0.91 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 1.79 111.172 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.499 ' HG3' ' HE2' ' A' ' 64' ' ' HIS . 71.8 Cg_endo -78.25 -7.5 16.11 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.569 2.179 . . . . 1.58 112.535 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -73.45 -47.26 43.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.455 . . . . 3.37 110.909 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 55.33 34.5 23.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.095 -0.502 . . . . 4.29 110.815 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 62.81 35.14 13.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.969 -0.56 . . . . 5.94 110.998 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 63.08 110.98 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.069 -0.514 . . . . 8.91 111.233 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 142.52 60.33 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.858 -0.687 . . . . 3.71 112.476 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.58 155.28 36.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.415 0.15 . . . . 5.92 111.099 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.81 -86.29 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.383 2.055 . . . . 1.99 112.408 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' A' ' 80' ' ' GLN . 30.6 m -136.73 153.45 75.76 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 1.82 111.061 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.68 90.02 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.475 2.117 . . . . 1.05 112.45 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.561 ' HG3' HG23 ' A' ' 78' ' ' VAL . 48.5 mt-30 -97.99 -25.37 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 2.18 110.886 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -47.75 -58.19 4.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.58 -0.736 . . . . 1.84 112.343 -179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 82' ' ' LEU . 2.0 pt? -56.94 -48.8 77.46 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 111.612 0.227 . . . . 1.5 111.612 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 11.4 mt -57.87 -32.56 67.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.709 0.29 . . . . 0.74 111.488 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -76.11 -52.73 9.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 1.33 111.806 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -68.88 -21.27 64.26 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.88 0.326 . . . . 2.4 111.88 -178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.482 HG21 ' CB ' ' A' ' 60' ' ' LYS . 49.0 t -84.76 -60.44 2.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.686 -0.234 . . . . 0.55 111.615 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.64 -26.37 61.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.749 0.309 . . . . 1.24 110.842 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -72.87 -49.59 29.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 1.18 110.357 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 92' ' ' TYR . . . -57.74 -46.8 83.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.724 -0.671 . . . . 0.27 111.229 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -60.71 -55.59 31.36 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.111 0.481 . . . . 1.32 110.343 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.34 -24.94 62.02 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.7 -0.762 . . . . 0.34 111.804 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 96' ' ' GLN . 38.8 t80 -66.65 -50.86 61.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.654 -0.128 . . . . 0.4 110.654 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.516 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 5.6 m0 -58.44 -54.23 49.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.225 0.536 . . . . 0.42 109.967 179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.7 p -54.72 -38.9 67.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.534 -0.757 . . . . 0.5 110.722 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -87.31 -7.38 57.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.055 -0.52 . . . . 2.24 110.31 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 92' ' ' TYR . 7.7 tt0 -77.05 -31.19 56.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.768 -0.651 . . . . 3.17 109.824 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' HB3' ' HB2' ' A' ' 100' ' ' GLN . 47.8 tp60 64.73 44.68 3.67 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.514 -0.766 . . . . 2.39 110.766 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 99' ' ' GLN . 2.0 mpt? 55.61 71.33 0.56 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.832 -0.622 . . . . 2.74 110.732 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 98' ' ' MET . 35.9 tt0 72.94 -61.88 0.49 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.815 -0.63 . . . . 5.0 111.186 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' HB2' ' HB3' ' A' ' 97' ' ' GLN . 64.6 tt0 60.3 -86.17 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.412 -0.358 . . . . 5.86 111.25 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.9 mt -141.64 20.04 2.18 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.829 0.347 . . . . 4.78 110.982 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.621 HE21 ' H ' ' A' ' 104' ' ' ASN . 24.4 tp60 -114.67 119.99 38.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 5.82 110.889 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.21 8.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 5.22 111.107 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.621 ' H ' HE21 ' A' ' 102' ' ' GLN . 45.9 t30 -81.14 80.25 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 5.65 110.835 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.416 HG21 ' HE3' ' A' ' 30' ' ' LYS . 45.0 t . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.316 -0.849 . . . . 4.19 111.02 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.3 pt20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.84 0.352 . . . . 8.02 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -65.79 -30.6 71.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 10.69 110.86 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -77.52 146.75 36.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.452 . . . . 8.17 110.843 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.85 138.41 22.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 6.48 111.019 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -83.86 -165.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 7.85 110.817 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 56.74 85.91 0.18 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.049 -0.523 . . . . 8.66 110.996 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -72.45 -48.8 0.31 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.455 2.103 . . . . 2.37 112.458 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -104.17 159.56 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 1.42 111.23 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.475 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.9 m -143.09 170.49 15.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 1.54 110.556 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -51.19 -26.87 5.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 116.383 -0.372 . . . . 0.65 111.176 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.17 -57.78 11.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.17 -0.468 . . . . 0.63 111.053 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.97 -34.67 78.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 2.03 110.476 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG21 ' HA ' ' A' ' 42' ' ' CYS . 95.9 t -58.1 -27.22 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.913 -0.585 . . . . 1.1 110.82 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.22 -48.73 73.48 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.298 -0.41 . . . . 2.29 110.552 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.76 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.051 0.453 . . . . 0.45 110.489 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.17 -49.54 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.698 -0.683 . . . . 0.63 110.711 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.712 ' HA ' HG22 ' A' ' 28' ' ' VAL . 28.2 m -67.67 -30.45 48.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 2.08 110.779 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -64.17 -23.88 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.297 0.57 . . . . 2.43 109.854 178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.25 -33.03 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.473 -0.785 . . . . 0.56 111.877 179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.712 HG22 ' HA ' ' A' ' 25' ' ' VAL . 5.5 m -85.81 -18.49 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 112.74 0.644 . . . . 0.44 112.74 -178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -57.87 -10.24 1.64 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.86 0.318 . . . . 1.13 111.86 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.631 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 54.7 pttt -106.76 -44.93 4.32 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.933 0.346 . . . . 1.48 111.933 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.631 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.2 pp -123.96 35.57 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.878 0.37 . . . . 0.81 111.635 -179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -79.89 -172.52 44.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.791 -0.718 . . . . 0.33 112.91 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 93' ' ' TRP . 12.0 p -136.91 -41.25 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 1.33 111.061 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.42 ' HA3' ' NE1' ' A' ' 36' ' ' TRP . . . -179.98 27.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.705 -0.759 . . . . 0.65 112.485 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.6 ptt-85 41.22 31.89 0.17 Allowed 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 122.775 0.43 . . . . 4.26 111.738 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.42 ' NE1' ' HA3' ' A' ' 34' ' ' GLY . 48.4 m95 -66.92 -43.24 83.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.06 0.457 . . . . 4.61 110.403 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -70.06 -31.59 69.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.89 -0.596 . . . . 3.3 111.022 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -66.23 -55.64 15.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.78 110.712 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.584 HG11 HD11 ' A' ' 55' ' ' LEU . 8.7 p -59.77 -32.91 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.339 -0.391 . . . . 2.01 111.064 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ALA . 26.3 mmmt -64.28 -45.38 88.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 3.34 111.37 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.08 24.96 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.574 -0.285 . . . . 2.44 111.602 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.522 ' HA ' HG21 ' A' ' 21' ' ' VAL . 51.9 t -54.64 -45.48 73.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.956 0.407 . . . . 1.36 110.228 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 179.18 25.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.006 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 43.6 t80 67.52 12.36 8.85 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.991 -1.114 . . . . 3.34 107.991 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -85.67 -53.56 5.08 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.447 -1.251 . . . . 2.12 111.324 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -114.25 31.76 6.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.219 -0.446 . . . . 1.46 110.74 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -66.05 0.07 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.991 -0.549 . . . . 1.56 111.584 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.87 1.16 11.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.635 -0.257 . . . . 2.25 111.195 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 63.2 117.91 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.484 . . . . 5.11 111.101 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -91.91 -64.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.512 . . . . 5.96 111.398 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.479 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.9 m -156.77 157.16 34.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.399 -0.364 . . . . 0.99 110.499 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.444 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -61.56 -45.81 92.56 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.724 0.268 . . . . 0.59 111.724 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 76.4 t -77.25 -40.71 29.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 121.036 -0.266 . . . . 0.46 111.095 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.1 m-20 -60.25 -49.72 76.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.066 0.46 . . . . 0.71 109.945 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.584 HD11 HG11 ' A' ' 39' ' ' VAL . 6.8 tt -58.14 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.058 -0.719 . . . . 1.69 109.058 178.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' A' ' 56' ' ' LYS . 5.6 tmmm? -67.02 -27.39 67.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.447 -0.797 . . . . 3.41 110.505 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.25 -48.5 67.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.058 -0.519 . . . . 2.08 110.583 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -62.86 -36.8 84.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.801 -0.636 . . . . 3.01 110.536 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.456 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -68.24 -44.2 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.82 -0.627 . . . . 0.75 110.54 179.559 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -62.58 -32.75 73.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.629 -0.714 . . . . 1.68 110.825 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -84.65 -26.84 27.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.628 0.728 . . . . 1.2 109.701 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.499 HD21 HG11 ' A' ' 25' ' ' VAL . 7.5 tp -64.89 -33.58 76.35 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.804 -1.089 . . . . 1.34 110.3 179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.463 ' O ' HG12 ' A' ' 68' ' ' ILE . 17.0 m -89.36 -45.22 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.56 110.384 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.495 ' HB2' HD13 ' A' ' 82' ' ' LEU . 45.1 t60 -52.82 -37.87 60.53 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.17 -0.468 . . . . 1.52 110.758 179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.4 m -81.52 -22.43 37.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 1.74 111.227 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.28 -85.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.64 111.461 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -162.29 30.64 0.11 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.48 -0.327 . . . . 3.49 111.006 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 63' ' ' VAL . 27.8 mm -62.71 -21.07 26.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 1.25 110.994 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.6 t 58.45 78.09 0.37 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 1.79 110.767 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.14 4.74 5.94 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.687 2.258 . . . . 1.58 112.579 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -105.07 -42.09 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.321 -0.4 . . . . 3.37 111.066 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 59.0 12.84 2.55 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.142 -0.481 . . . . 4.29 111.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 57.94 17.06 4.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.392 -0.367 . . . . 5.94 111.054 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -107.59 -38.57 5.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.305 -0.407 . . . . 8.91 110.979 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.7 112.4 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.884 -0.674 . . . . 3.71 112.478 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -144.27 135.41 12.5 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 120.419 0.152 . . . . 5.92 110.842 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.54 -85.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.202 1.935 . . . . 1.99 112.478 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.2 t -87.67 129.42 50.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 1.82 110.903 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.495 ' HB2' HD11 ' A' ' 82' ' ' LEU . 71.1 Cg_endo -74.26 94.0 0.9 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.356 2.037 . . . . 1.05 112.598 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -96.45 -26.38 15.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 2.18 110.953 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -48.31 -36.14 13.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 1.84 111.832 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -63.15 -59.59 4.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 1.5 110.798 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.4 mt -56.34 -35.53 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.369 -0.378 . . . . 0.74 110.983 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -63.8 -51.27 65.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 1.33 111.216 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -69.89 -19.82 63.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.349 -0.387 . . . . 2.4 111.289 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 82' ' ' LEU . 38.4 t -72.35 -61.6 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.622 -0.263 . . . . 0.55 110.887 179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.72 -25.67 67.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 1.24 110.717 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -74.87 -52.2 11.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 1.18 110.552 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.95 -55.31 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.27 111.245 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -54.16 -55.59 26.35 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-O 121.165 0.507 . . . . 1.32 110.481 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.48 -33.36 62.08 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.536 -0.757 . . . . 0.34 111.861 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.54 -40.3 89.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.577 0.227 . . . . 0.4 110.69 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.467 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 34.5 m0 -58.03 -57.58 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.056 0.455 . . . . 0.42 110.176 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.7 p -64.75 -50.04 68.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.586 -0.734 . . . . 0.5 112.178 -179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -64.69 -63.33 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.441 -0.345 . . . . 2.24 111.854 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.587 ' HA ' HE21 ' A' ' 96' ' ' GLN . 0.1 OUTLIER -58.92 -21.06 57.23 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.922 -0.311 . . . . 3.17 110.901 -179.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 56.53 54.23 7.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 2.39 110.925 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 68.6 mtm 55.36 31.67 17.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.033 -0.531 . . . . 2.74 111.086 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.495 ' HB2' ' HB3' ' A' ' 102' ' ' GLN . 48.6 mt-30 60.05 33.24 21.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 5.0 111.01 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 64.75 60.4 0.86 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.012 -0.54 . . . . 5.86 111.106 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 83.9 mt 53.83 23.79 4.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.962 -0.563 . . . . 4.78 111.797 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.631 ' HG2' ' H ' ' A' ' 104' ' ' ASN . 36.0 tt0 -68.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 5.82 110.691 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 58.05 18.5 5.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.038 -0.528 . . . . 5.22 111.253 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.631 ' H ' ' HG2' ' A' ' 102' ' ' GLN . 77.5 m-20 -98.01 80.04 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.358 -0.383 . . . . 5.65 110.879 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 105' ' ' VAL . 2.5 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.529 -0.748 . . . . 4.19 111.273 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.877 0.37 . . . . 8.02 110.949 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 85.1 mtm180 -108.11 14.21 25.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 10.69 110.777 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -80.73 134.88 35.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 8.17 111.013 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -112.89 153.32 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 6.48 110.852 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.585 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 4.9 tpm_? 65.36 116.02 0.03 OUTLIER 'General case' 0 C--O 1.231 0.098 0 CA-C-N 116.242 -0.435 . . . . 7.85 110.866 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.775 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 66.6 ttt180 -152.32 -51.45 0.02 OUTLIER Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.244 -0.434 . . . . 8.66 112.169 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.775 ' HD2' ' H ' ' A' ' 14' ' ' ARG . 47.3 Cg_endo -71.06 -63.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 121.821 1.681 . . . . 2.37 112.716 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -104.06 167.57 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.948 0.404 . . . . 1.42 111.159 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.3 p -177.45 176.3 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.689 -0.687 . . . . 1.54 110.066 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -54.64 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 120.936 0.398 . . . . 0.65 110.591 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.3 -46.96 88.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.907 -0.588 . . . . 0.63 110.617 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -65.73 -41.15 92.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 2.03 110.015 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 25' ' ' VAL . 61.4 t -51.74 -35.23 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.793 -0.639 . . . . 1.1 110.56 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.438 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 1.6 tm-20 -51.5 -50.24 60.3 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.159 -0.473 . . . . 2.29 110.013 179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.56 92.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.959 -0.564 . . . . 0.45 109.821 178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.6 tp -57.41 -29.65 64.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.468 -0.787 . . . . 0.63 110.126 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.499 ' HA ' HG22 ' A' ' 28' ' ' VAL . 56.5 t -70.38 -41.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.015 -0.539 . . . . 2.08 110.259 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -66.16 -21.53 66.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 2.43 110.396 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.54 16.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.939 -0.573 . . . . 0.56 111.966 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.86 -18.01 9.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 N-CA-C 112.783 0.66 . . . . 0.44 112.783 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -56.84 -10.42 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.034 0.383 . . . . 1.13 112.034 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.601 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -102.21 -47.7 4.44 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 111.72 0.266 . . . . 1.48 111.72 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.601 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.9 pp -116.08 32.02 6.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.856 0.36 . . . . 0.81 111.494 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -71.28 179.7 32.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.33 112.831 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.5 m -154.91 -41.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 1.33 110.958 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -172.8 22.25 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.65 112.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.496 ' HB2' ' HB2' ' A' ' 38' ' ' ASP . 3.8 ptm180 44.61 26.24 0.18 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.667 0.387 . . . . 4.26 111.627 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.2 m95 -53.68 -43.99 69.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.042 0.448 . . . . 4.61 110.652 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.5 -31.3 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 3.3 110.994 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.496 ' HB2' ' HB2' ' A' ' 35' ' ' ARG . 4.4 m-20 -67.47 -57.87 5.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.78 110.614 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.603 HG21 HD12 ' A' ' 55' ' ' LEU . 7.2 p -57.66 -31.4 39.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.531 . . . . 2.01 110.849 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -64.28 -50.49 67.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 3.34 111.583 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.8 tp -113.3 26.02 10.81 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.827 0.306 . . . . 2.44 111.827 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 53.0 t -52.86 -45.11 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.038 0.447 . . . . 1.36 109.995 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.43 ' HB3' ' HG2' ' A' ' 45' ' ' GLU . . . 173.96 28.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.624 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 64.78 14.9 9.48 Favored 'General case' 0 CA--C 1.513 -0.481 0 N-CA-C 108.029 -1.1 . . . . 3.34 108.029 -178.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.43 ' HG2' ' HB3' ' A' ' 43' ' ' ALA . 16.1 mm-40 -85.34 -53.14 5.41 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.356 -1.293 . . . . 2.12 111.204 -179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -113.91 27.31 9.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.194 -0.457 . . . . 1.46 110.871 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.13 -4.05 3.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.114 -0.494 . . . . 1.56 111.338 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -101.61 -17.09 16.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.449 -0.341 . . . . 2.25 110.736 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 10.4 m170 62.07 105.61 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.926 -0.579 . . . . 5.11 111.326 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -78.79 -80.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 5.96 110.88 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.6 p -146.65 176.62 9.7 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.486 -0.325 . . . . 0.99 110.937 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.44 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -60.32 -46.06 91.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.59 111.906 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.44 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 92.8 t -76.23 -47.61 30.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 121.121 -0.232 . . . . 0.46 111.043 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.99 -48.28 67.59 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.968 0.413 . . . . 0.71 110.362 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.603 HD12 HG21 ' A' ' 39' ' ' VAL . 5.4 tt -62.19 -40.05 94.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 1.69 109.597 178.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.19 -21.24 63.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.737 -0.665 . . . . 3.41 110.614 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -75.53 -44.75 41.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.421 . . . . 2.08 110.284 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' HB2' ' NZ ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -65.25 -29.34 70.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.005 -0.543 . . . . 3.01 110.134 179.394 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.458 ' CH2' HG13 ' A' ' 25' ' ' VAL . 2.2 t-105 -78.61 -49.55 13.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.75 110.331 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HA ' HG21 ' A' ' 86' ' ' VAL . 6.7 tmtt? -56.68 -34.27 67.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.702 -0.681 . . . . 1.68 110.682 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 51.2 m -83.79 -26.3 29.73 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.966 -0.561 . . . . 1.2 109.847 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tp -64.1 -31.99 73.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.205 -0.907 . . . . 1.34 110.208 179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.44 ' O ' HG12 ' A' ' 68' ' ' ILE . 18.0 m -89.93 -44.84 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.981 -0.554 . . . . 0.56 110.452 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.454 ' CG ' HD13 ' A' ' 82' ' ' LEU . 34.4 t60 -55.38 -33.78 63.75 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.135 0.493 . . . . 1.52 110.733 179.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.1 t -78.64 -22.81 46.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.653 -0.703 . . . . 1.74 111.556 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.42 -82.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.471 -0.331 . . . . 0.64 111.489 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -162.73 36.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.335 -0.393 . . . . 3.49 110.891 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 63' ' ' VAL . 27.5 mm -62.78 -23.45 32.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 1.25 110.88 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 53.0 m 56.43 76.08 0.52 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.171 -0.468 . . . . 1.79 110.837 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.17 -29.55 4.01 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.659 2.239 . . . . 1.58 112.403 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.481 ' C ' ' H ' ' A' ' 73' ' ' ARG . 43.5 mt-30 -81.45 -48.57 11.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 3.37 110.854 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 69.25 -19.17 0.18 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.865 -0.607 . . . . 4.29 111.775 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.481 ' H ' ' C ' ' A' ' 71' ' ' GLN . 86.0 mtm180 -148.9 -78.96 0.14 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.766 0.317 . . . . 5.94 110.933 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -141.11 -67.0 0.42 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 8.91 110.999 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -106.09 174.67 20.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.866 -0.683 . . . . 3.71 112.507 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -163.9 153.83 12.78 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.437 0.16 . . . . 5.92 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -71.62 -85.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.397 2.064 . . . . 1.99 112.12 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.36 136.54 28.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 1.82 110.954 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.679 ' HB2' HD11 ' A' ' 82' ' ' LEU . 80.8 Cg_endo -78.1 75.12 4.99 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.428 2.085 . . . . 1.05 112.629 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -96.26 -25.6 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 2.18 110.71 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -52.23 -35.86 50.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.596 -0.729 . . . . 1.84 111.783 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -64.93 -59.79 3.78 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.537 -0.301 . . . . 1.5 110.901 -179.505 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.6 mt -59.88 -24.86 64.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.74 111.078 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.76 -51.04 45.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.302 -0.408 . . . . 1.33 110.473 179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -74.84 -20.07 59.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 2.4 110.554 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 82' ' ' LEU . 13.3 t -73.86 -57.88 5.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 0.55 110.657 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.78 -29.45 70.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.24 110.355 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -72.24 -46.98 53.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.973 -0.558 . . . . 1.18 110.405 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.84 -54.64 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 0.27 111.341 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.48 -53.28 59.96 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.151 0.5 . . . . 1.32 110.593 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.34 -35.49 50.61 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.528 -0.76 . . . . 0.34 111.879 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -64.85 -41.09 95.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.694 0.283 . . . . 0.4 110.34 179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.7 m0 -56.22 -57.58 11.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.965 0.412 . . . . 0.42 110.671 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.1 p -67.81 -48.08 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.5 112.438 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -64.17 -60.74 2.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.589 -0.278 . . . . 2.24 111.696 -179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.425 HE21 ' HG2' ' A' ' 99' ' ' GLN . 7.5 tp60 -60.52 -22.87 64.07 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.076 -0.25 . . . . 3.17 111.064 -179.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 58.39 48.49 12.23 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.357 -0.383 . . . . 2.39 110.954 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 65.7 mtt 57.38 29.08 16.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 2.74 110.944 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.425 ' HG2' HE21 ' A' ' 96' ' ' GLN . 25.0 mt-30 61.57 30.61 18.75 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.171 -0.468 . . . . 5.0 110.942 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 60.97 14.86 5.61 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.05 -0.523 . . . . 5.86 110.941 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.2 mt 55.1 44.09 28.53 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.064 -0.517 . . . . 4.78 110.993 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -55.35 -76.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 5.82 111.019 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -170.22 -70.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.313 -0.403 . . . . 5.22 110.883 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -77.58 75.66 4.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 5.65 110.635 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.417 ' OXT' HG13 ' A' ' 105' ' ' VAL . 3.6 p . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.058 -0.972 . . . . 4.19 111.187 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.824 0.345 . . . . 8.02 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 59.01 17.89 5.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.067 -0.515 . . . . 10.69 111.02 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -111.84 137.22 50.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 8.17 111.018 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.5 mt -99.75 -75.07 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 6.48 110.929 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -144.87 -161.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.085 -0.507 . . . . 7.85 110.803 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -61.29 126.46 86.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 8.66 110.806 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.97 -44.13 1.01 Allowed 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.321 2.014 . . . . 2.37 112.357 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.09 163.14 21.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.42 110.909 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 80.0 p -156.88 176.46 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.497 . . . . 1.54 110.72 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -46.49 -31.87 1.55 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.199 0 CA-C-N 116.244 -0.435 . . . . 0.65 111.474 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.77 -51.08 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.373 -0.376 . . . . 0.63 111.108 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -66.46 -41.56 88.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 2.03 110.859 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG21 ' SG ' ' A' ' 42' ' ' CYS . 61.8 t -57.47 -31.12 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.1 110.81 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -49.0 -58.35 5.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 2.29 110.114 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.19 86.99 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.876 -0.602 . . . . 0.45 109.935 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.64 -28.98 66.17 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.7 -0.682 . . . . 0.63 110.377 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 28' ' ' VAL . 54.4 t -75.35 -38.14 39.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.073 -0.512 . . . . 2.08 110.306 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.47 -22.55 66.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.021 -0.536 . . . . 2.43 110.65 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -37.41 16.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.037 -0.529 . . . . 0.56 112.063 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' A' ' 25' ' ' VAL . 33.1 m -85.58 -18.09 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.175 0 N-CA-C 112.615 0.598 . . . . 0.44 112.615 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -58.2 -10.46 1.98 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.782 0.29 . . . . 1.13 111.782 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 59.4 pttt -107.48 -47.73 3.58 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.676 0.25 . . . . 1.48 111.676 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.6 pp -110.25 28.7 8.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.882 0.372 . . . . 0.81 111.448 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -70.57 -178.64 25.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.883 -0.675 . . . . 0.33 112.822 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.2 p -145.38 -49.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.33 111.236 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.01 22.04 0.12 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.917 -0.659 . . . . 0.65 112.316 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 42.56 24.59 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.817 0.447 . . . . 4.26 111.816 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -71.11 -44.72 65.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 4.61 111.079 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.02 -34.5 71.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.927 0.394 . . . . 3.3 111.263 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -67.51 -62.41 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.498 . . . . 0.78 111.454 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.596 HG11 ' HG ' ' A' ' 55' ' ' LEU . 43.6 t -57.04 -38.49 60.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.293 -0.412 . . . . 2.01 111.836 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -65.35 -33.68 76.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.633 0.254 . . . . 3.34 111.17 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.22 18.77 18.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.721 0.296 . . . . 2.44 111.1 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.5 ' SG ' HG21 ' A' ' 21' ' ' VAL . 17.0 t -51.99 -50.25 61.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 1.36 110.514 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . 178.31 29.88 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.589 -0.732 . . . . 1.0 110.703 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 42.2 t80 69.21 15.92 8.55 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 107.703 -1.221 . . . . 3.34 107.703 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -78.2 -54.13 6.58 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.088 -1.415 . . . . 2.12 110.558 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.53 ' HB3' HG12 ' A' ' 39' ' ' VAL . 15.9 t70 -119.2 25.2 10.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.75 -0.659 . . . . 1.46 110.018 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.09 -22.1 60.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.942 -0.572 . . . . 1.56 111.369 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.38 -7.65 59.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.271 -0.422 . . . . 2.25 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.8 p80 37.0 90.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.679 -0.691 . . . . 5.11 112.1 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -60.41 -65.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 5.96 111.125 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.508 HG22 ' H ' ' A' ' 52' ' ' TYR . 0.2 OUTLIER -150.1 179.65 7.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.266 -0.425 . . . . 0.99 110.68 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' H ' HG22 ' A' ' 51' ' ' THR . 0.6 OUTLIER -64.13 -46.49 83.93 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 111.74 0.274 . . . . 0.59 111.74 -179.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.436 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 89.3 t -79.21 -37.22 18.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.683 0.278 . . . . 0.46 110.96 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.34 -45.21 94.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.979 0.418 . . . . 0.71 110.286 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.596 ' HG ' HG11 ' A' ' 39' ' ' VAL . 8.2 tt -65.24 -50.61 65.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.832 -0.622 . . . . 1.69 110.013 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.99 -27.36 66.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.204 -0.453 . . . . 3.41 109.824 179.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.23 -49.66 68.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 2.08 109.941 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -57.78 -29.18 64.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.707 -0.678 . . . . 3.01 109.88 179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.404 ' CH2' HG13 ' A' ' 25' ' ' VAL . 1.6 t-105 -73.93 -48.51 30.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.572 -0.74 . . . . 0.75 110.213 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.499 ' HE3' HD13 ' A' ' 82' ' ' LEU . 27.9 ttpt -57.3 -30.89 65.12 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.876 -0.602 . . . . 1.68 110.662 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 44.5 m -83.4 -26.97 29.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.899 -0.591 . . . . 1.2 110.096 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.07 -32.28 73.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.462 -0.79 . . . . 1.34 110.208 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.4 m -90.06 -43.75 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.851 -0.613 . . . . 0.56 111.295 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -60.27 -29.88 69.09 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.992 0.425 . . . . 1.52 110.597 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.6 t -80.7 -23.18 39.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.907 -0.588 . . . . 1.74 111.385 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.58 -84.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.361 -0.381 . . . . 0.64 111.443 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -159.96 18.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 3.49 111.017 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.423 HD12 ' CZ ' ' A' ' 85' ' ' ARG . 49.5 mm -63.14 -24.18 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 1.25 110.792 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 46.3 t 54.44 65.99 4.64 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.124 -0.489 . . . . 1.79 111.108 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.482 ' HB2' ' HB3' ' A' ' 79' ' ' PRO . 81.2 Cg_endo -78.29 -1.72 11.86 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.56 2.173 . . . . 1.58 112.287 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.93 -46.68 80.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.136 -0.484 . . . . 3.37 110.734 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 54.52 30.09 12.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.034 -0.53 . . . . 4.29 110.761 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 61.89 -166.76 0.21 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.016 -0.538 . . . . 5.94 110.74 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -76.64 7.03 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 8.91 111.044 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.62 -65.23 2.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 3.71 112.549 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -89.31 144.75 32.8 Favored Pre-proline 0 C--N 1.332 -0.182 0 CA-C-O 120.525 0.202 . . . . 5.92 110.853 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -72.56 -87.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.381 2.054 . . . . 1.99 112.699 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.3 t -88.19 134.65 34.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 1.82 111.156 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.482 ' HB3' ' HB2' ' A' ' 70' ' ' PRO . 11.6 Cg_exo -71.27 100.28 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 122.588 2.192 . . . . 1.05 112.175 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -96.72 -22.1 17.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.075 -0.511 . . . . 2.18 110.766 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.94 -41.48 46.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.577 -0.738 . . . . 1.84 111.608 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.737 HD12 ' H ' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -60.07 -36.07 76.55 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.661 0.267 . . . . 1.5 111.565 -179.819 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.737 ' H ' HD12 ' A' ' 82' ' ' LEU . 25.5 mt -76.42 -41.37 47.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.74 111.375 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -67.47 -38.86 85.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.197 -0.456 . . . . 1.33 111.52 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.423 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 12.0 ptm85 -74.31 -36.18 63.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.493 -0.321 . . . . 2.4 111.729 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.498 HG21 ' HG3' ' A' ' 60' ' ' LYS . 25.9 t -73.42 -44.68 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.675 0.274 . . . . 0.55 111.312 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.23 -33.1 75.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.999 0.428 . . . . 1.24 110.444 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -71.3 -53.7 13.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.877 -0.601 . . . . 1.18 110.663 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.23 -43.7 71.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.86 -0.609 . . . . 0.27 111.032 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.433 ' HB2' ' NH1' ' A' ' 35' ' ' ARG . 11.1 t-160 -61.02 -55.09 36.95 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.076 0.465 . . . . 1.32 110.287 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.06 -32.87 50.33 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.563 -0.744 . . . . 0.34 111.651 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.456 ' O ' ' N ' ' A' ' 96' ' ' GLN . 16.8 t80 -63.82 -46.97 82.72 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 110.187 -0.301 . . . . 0.4 110.187 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 31.0 m0 -54.78 -60.1 3.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.058 0.456 . . . . 0.42 110.341 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 72.8 p -56.11 -40.99 74.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.568 -0.742 . . . . 0.5 111.392 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.77 -9.6 59.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 2.24 110.761 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 92' ' ' TYR . 7.9 tp-100 -83.84 -25.04 30.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 3.17 109.947 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 69.49 14.24 8.35 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.447 -0.797 . . . . 2.39 110.784 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 21.9 ttt 53.82 19.74 2.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.045 -0.525 . . . . 2.74 111.06 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -90.22 -10.94 42.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 5.0 111.06 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 56.84 27.55 13.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.197 -0.456 . . . . 5.86 110.903 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER -54.97 -41.28 70.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.111 -0.495 . . . . 4.78 110.741 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.408 HE21 ' HB3' ' A' ' 104' ' ' ASN . 53.8 tt0 -89.59 122.39 32.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 5.82 110.977 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -96.81 -3.85 41.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 5.22 111.005 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.408 ' HB3' HE21 ' A' ' 102' ' ' GLN . 2.9 t-20 -77.66 80.64 4.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 5.65 110.803 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 105' ' ' VAL . 2.5 p . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.557 -0.735 . . . . 4.19 111.142 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.8 0.333 . . . . 8.02 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 58.68 20.55 7.89 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.095 -0.502 . . . . 10.69 111.142 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -96.11 106.16 18.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 8.17 110.743 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 12' ' ' ILE . 4.1 mp -95.78 128.48 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 6.48 110.956 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -110.31 -170.24 1.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 7.85 110.658 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -93.71 137.82 23.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 8.66 110.875 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -78.05 0.43 9.88 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.397 2.064 . . . . 2.37 112.465 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.61 128.4 36.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 1.42 111.184 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.516 ' O ' HG23 ' A' ' 21' ' ' VAL . 52.6 m -136.09 -174.49 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.846 -0.615 . . . . 1.54 110.349 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.16 -23.57 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 0.65 111.013 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.84 -57.21 13.48 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.147 -0.479 . . . . 0.63 110.643 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.22 -33.78 73.84 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.08 0.467 . . . . 2.03 110.017 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 17' ' ' SER . 96.2 t -55.76 -25.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.73 -0.668 . . . . 1.1 110.605 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -52.82 -53.96 41.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.045 0.45 . . . . 2.29 110.377 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.29 82.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.868 -0.606 . . . . 0.45 110.612 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.8 tp -54.4 -60.17 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.843 -0.617 . . . . 0.63 110.732 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 28' ' ' VAL . 31.8 m -61.81 -26.72 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 2.08 110.833 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -68.07 -23.49 64.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.322 0.582 . . . . 2.43 109.742 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.22 -29.43 20.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.464 -0.789 . . . . 0.56 111.263 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 25' ' ' VAL . 4.0 m -85.75 -19.35 8.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 112.343 0.497 . . . . 0.44 112.343 -179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -63.27 -10.18 14.86 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.081 -0.248 . . . . 1.13 111.589 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.3 ptpt -107.5 -40.42 5.35 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.937 0.347 . . . . 1.48 111.937 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 2.0 pp -122.55 29.49 6.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.824 0.345 . . . . 0.81 111.678 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.77 -170.98 45.16 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.773 -0.727 . . . . 0.33 112.772 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.553 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 47.7 m -146.36 -33.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.633 0.254 . . . . 1.33 111.311 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.95 26.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.702 -0.761 . . . . 0.65 112.717 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 41.18 27.5 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.77 0.428 . . . . 4.26 111.813 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.553 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 42.9 p-90 -73.57 -43.09 60.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.985 -0.552 . . . . 4.61 111.01 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -66.16 -33.56 76.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.16 0.505 . . . . 3.3 110.158 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.8 m-20 -66.6 -56.53 10.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.651 -0.704 . . . . 0.78 110.972 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -57.36 -29.56 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 2.01 111.417 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -69.63 -49.37 54.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.479 -0.328 . . . . 3.34 111.66 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.6 mp -113.18 25.58 11.23 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 111.841 0.311 . . . . 2.44 111.841 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.491 ' SG ' HG21 ' A' ' 21' ' ' VAL . 48.3 t -52.75 -47.17 67.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.102 0.477 . . . . 1.36 109.862 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 178.13 27.79 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.242 -0.89 . . . . 1.0 110.775 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 66.08 13.05 8.9 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.256 -1.016 . . . . 3.34 108.256 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -85.82 -48.76 8.47 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.646 -1.161 . . . . 2.12 111.121 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -115.81 26.34 10.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 1.46 110.818 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.78 -15.72 59.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 1.56 110.994 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -96.03 -7.19 36.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 2.25 110.789 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 62.97 105.73 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.854 -0.612 . . . . 5.11 111.16 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 7.1 tpm_? -83.48 -67.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.049 -0.523 . . . . 5.96 110.961 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 14.3 m -156.3 154.03 30.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.99 110.612 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.447 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -62.18 -45.48 93.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.043 0.386 . . . . 0.59 112.043 -179.749 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.5 ' O ' ' HG3' ' A' ' 56' ' ' LYS . 89.9 t -78.06 -33.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 121.081 -0.248 . . . . 0.46 111.276 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 1.7 m-20 -67.88 -44.99 75.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.018 0.437 . . . . 0.71 110.447 179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 55' ' ' LEU . 2.3 tm? -64.85 -53.62 43.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.963 -0.562 . . . . 1.69 109.969 179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -56.62 -28.5 60.61 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.573 -0.529 . . . . 3.41 109.573 179.266 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 14.4 t70 -63.71 -44.39 93.78 Favored 'General case' 0 CA--C 1.517 -0.308 0 N-CA-C 109.415 -0.587 . . . . 2.08 109.415 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -59.15 -32.42 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.53 -0.759 . . . . 3.01 110.07 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.418 ' CZ3' ' HB ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -82.64 -30.76 29.15 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.85 -0.613 . . . . 0.75 109.904 179.247 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' HB2' HG21 ' A' ' 86' ' ' VAL . 1.0 OUTLIER -68.36 -38.06 81.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.326 -0.852 . . . . 1.68 110.157 179.25 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.9 t -82.69 -26.85 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.599 -0.728 . . . . 1.2 109.328 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.523 HD22 ' O ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -59.65 -44.35 93.56 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.108 -0.951 . . . . 1.34 109.143 178.547 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.456 ' N ' HD13 ' A' ' 62' ' ' LEU . 17.4 m -80.16 -44.05 22.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.9 -0.591 . . . . 0.56 110.783 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.501 ' HB2' HD13 ' A' ' 82' ' ' LEU . 2.0 t60 -54.61 -34.46 62.08 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.159 -0.473 . . . . 1.52 111.143 179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.6 m -90.79 -17.24 26.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 1.74 111.263 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.62 -85.52 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.64 111.504 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -148.96 15.36 0.94 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.496 -0.32 . . . . 3.49 111.205 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.9 mm -60.77 -26.2 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.392 -0.367 . . . . 1.25 110.843 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.4 t 47.29 64.09 9.09 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-N 115.984 -0.553 . . . . 1.79 111.315 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -78.22 4.07 6.55 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.599 2.199 . . . . 1.58 112.301 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -105.05 16.63 25.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 3.37 110.92 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -56.99 -26.77 60.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 4.29 110.831 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 63.02 118.57 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.863 -0.608 . . . . 5.94 111.612 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -141.21 8.52 2.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.911 -0.586 . . . . 8.91 110.565 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 134.51 45.33 0.11 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.955 -0.641 . . . . 3.71 112.052 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 56.34 56.93 9.29 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-O 120.711 0.291 . . . . 5.92 110.846 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -78.82 -163.65 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.553 2.168 . . . . 1.99 112.433 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 m -134.19 143.2 46.09 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 1.82 110.765 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.651 ' HB2' HD11 ' A' ' 82' ' ' LEU . 73.7 Cg_endo -75.59 76.21 3.7 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.379 2.053 . . . . 1.05 112.453 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -96.54 -28.93 14.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.06 -0.518 . . . . 2.18 110.721 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -51.47 -37.48 49.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.447 -0.797 . . . . 1.84 111.909 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.651 HD11 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -66.35 -57.6 7.11 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.582 -0.281 . . . . 1.5 111.171 -179.281 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 80.3 mt -58.64 -33.27 69.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.997 0.427 . . . . 0.74 110.941 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -62.1 -52.13 65.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 1.33 111.024 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 85' ' ' ARG . 11.3 ptp180 -68.87 -19.74 64.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.333 -0.394 . . . . 2.4 111.189 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 82' ' ' LEU . 41.7 t -70.38 -62.11 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.347 -0.388 . . . . 0.55 110.924 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -67.17 -19.45 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 1.24 110.779 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -77.23 -54.4 6.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.069 -0.514 . . . . 1.18 110.399 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.24 96.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.842 -0.617 . . . . 0.27 110.955 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 47.6 t60 -61.66 -55.63 28.44 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.127 0.489 . . . . 1.32 110.181 179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.3 -29.45 63.11 Favored Glycine 0 C--N 1.333 0.403 0 C-N-CA 120.697 -0.763 . . . . 0.34 111.645 179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.478 ' O ' ' N ' ' A' ' 96' ' ' GLN . 22.5 t80 -64.62 -47.39 78.75 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 110.396 -0.224 . . . . 0.4 110.396 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 16.5 m0 -57.41 -57.5 12.39 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.249 0.547 . . . . 0.42 109.944 179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 75.3 p -55.12 -36.45 65.75 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.375 -0.829 . . . . 0.5 111.155 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -89.24 -7.47 55.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 2.24 110.79 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 92' ' ' TYR . 8.9 tt0 -80.91 -28.93 35.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 3.17 110.196 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.456 ' C ' ' H ' ' A' ' 99' ' ' GLN . 77.9 mt-30 69.31 34.18 3.0 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.523 -0.762 . . . . 2.39 111.002 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 15.4 tpt 71.95 -21.68 0.22 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.956 -0.565 . . . . 2.74 111.581 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.456 ' H ' ' C ' ' A' ' 97' ' ' GLN . 6.5 tp-100 -165.98 85.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 5.0 110.58 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.417 ' HG3' ' H ' ' A' ' 103' ' ' GLN . 28.9 pt20 -60.06 144.97 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.054 -0.521 . . . . 5.86 110.925 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 101' ' ' LEU . 7.2 mp -77.42 5.3 9.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 4.78 110.913 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.534 ' HG3' ' HB2' ' A' ' 104' ' ' ASN . 24.3 tp60 -84.79 -43.92 13.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 5.82 110.815 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' H ' ' HG3' ' A' ' 100' ' ' GLN . 8.3 tt0 63.98 8.61 4.04 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.099 -0.501 . . . . 5.22 111.206 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.534 ' HB2' ' HG3' ' A' ' 102' ' ' GLN . 3.4 m-20 -114.68 77.62 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 5.65 110.803 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 48.4 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.303 -0.856 . . . . 4.19 111.005 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 10' ' ' ARG . 11.8 pt20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.66 0.267 . . . . 8.02 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.406 ' N ' ' HG3' ' A' ' 9' ' ' GLN . 17.5 ptp180 -170.71 24.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.399 . . . . 10.69 110.947 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -86.36 129.8 34.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 8.17 110.914 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.482 HD13 ' N ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -138.41 138.88 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 6.48 110.821 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.482 ' N ' HD13 ' A' ' 12' ' ' ILE . 24.1 tpp180 -113.0 126.8 55.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 7.85 110.738 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HG3' ' HG3' ' A' ' 13' ' ' ARG . 99.1 mtt180 57.89 84.77 0.2 Allowed Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.017 -0.538 . . . . 8.66 110.973 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -77.72 -41.01 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.501 2.134 . . . . 2.37 112.646 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -107.13 159.79 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 1.42 111.366 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.403 ' O ' HG23 ' A' ' 21' ' ' VAL . 80.1 p -169.1 -175.06 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.689 -0.687 . . . . 1.54 110.217 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.6 p -51.92 -33.23 15.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.871 0.367 . . . . 0.65 110.73 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -47.17 84.3 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.074 -0.512 . . . . 0.63 110.524 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.38 -36.46 81.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.029 -0.532 . . . . 2.03 109.983 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' ' 25' ' ' VAL . 74.1 t -54.17 -34.34 26.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.808 -0.633 . . . . 1.1 110.496 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.447 ' O ' ' HB ' ' A' ' 25' ' ' VAL . 39.7 tt0 -48.58 -56.13 9.25 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.107 0.48 . . . . 2.29 110.244 179.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.72 87.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.45 109.881 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.58 -28.94 66.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.584 -0.735 . . . . 0.63 110.111 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.534 ' HA ' HG22 ' A' ' 28' ' ' VAL . 55.8 t -70.71 -41.59 77.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.128 -0.487 . . . . 2.08 110.213 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tm0? -65.21 -23.24 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 2.43 110.203 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.69 -37.09 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.942 -0.572 . . . . 0.56 112.231 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 25' ' ' VAL . 31.1 m -85.75 -18.18 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 112.642 0.608 . . . . 0.44 112.642 -178.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -58.09 -10.36 1.85 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.894 0.331 . . . . 1.13 111.894 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.575 ' HG3' ' HG ' ' A' ' 31' ' ' LEU . 19.0 ptpt -107.35 -47.78 3.58 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 111.891 0.33 . . . . 1.48 111.891 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' HG ' ' HG3' ' A' ' 30' ' ' LYS . 1.8 pp -114.27 31.98 6.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.894 0.378 . . . . 0.81 111.62 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -77.17 -175.86 43.23 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.721 -0.752 . . . . 0.33 112.681 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.546 ' HB ' ' HE1' ' A' ' 36' ' ' TRP . 59.7 m -151.32 -43.82 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.908 0.385 . . . . 1.33 110.918 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.88 20.62 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.807 -0.711 . . . . 0.65 112.411 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 59' ' ' TRP . 1.4 ptm180 45.0 21.97 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 122.821 0.448 . . . . 4.26 111.575 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.546 ' HE1' ' HB ' ' A' ' 33' ' ' THR . 11.4 p-90 -58.35 -45.24 88.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 4.61 110.852 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.453 ' HA ' ' HD2' ' A' ' 40' ' ' LYS . 16.0 ptm180 -65.26 -28.81 69.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 3.3 110.519 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.56 -60.18 3.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.78 110.724 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG11 HD13 ' A' ' 55' ' ' LEU . 19.0 m -57.46 -26.96 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 2.01 110.721 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 88.9 mttt -64.54 -52.5 57.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 3.34 111.167 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.0 24.69 12.11 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.803 0.297 . . . . 2.44 111.803 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 40.8 t -55.87 -46.06 78.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.022 0.439 . . . . 1.36 110.296 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -177.03 24.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.565 -0.743 . . . . 1.0 111.153 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.416 ' O ' ' CG ' ' A' ' 44' ' ' PHE . 0.0 OUTLIER 72.2 4.95 5.18 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.457 -0.942 . . . . 3.34 108.457 -179.457 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -81.35 -54.4 5.5 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.705 -1.134 . . . . 2.12 111.496 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -101.45 25.5 8.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.327 -0.397 . . . . 1.46 110.782 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.44 -3.71 6.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 1.56 111.32 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.25 -5.55 13.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.392 -0.367 . . . . 2.25 110.924 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 62.97 114.22 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.068 -0.514 . . . . 5.11 111.169 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -87.21 -69.44 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.006 -0.543 . . . . 5.96 111.223 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 54' ' ' ASP . 18.2 m -158.14 155.94 30.02 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.99 110.352 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.449 ' HD1' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -58.84 -47.54 84.47 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.769 0.285 . . . . 0.59 111.769 -179.412 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.424 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 78.4 t -77.32 -43.04 31.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 121.054 -0.259 . . . . 0.46 111.012 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.52 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 2.3 m-20 -57.74 -51.49 69.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.875 0.369 . . . . 0.71 110.383 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.585 HD13 HG11 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -61.63 -34.98 76.61 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.236 -0.653 . . . . 1.69 109.236 179.064 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HD3' HG11 ' A' ' 86' ' ' VAL . 6.0 tmmm? -67.29 -29.81 69.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.734 -0.666 . . . . 3.41 109.963 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -68.27 -46.2 71.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.945 -0.57 . . . . 2.08 110.194 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -61.52 -30.75 70.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.13 0.49 . . . . 3.01 109.713 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.524 ' HA ' ' HB3' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -71.25 -45.6 62.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.505 -0.771 . . . . 0.75 110.0 179.234 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.588 ' HD2' ' HG ' ' A' ' 83' ' ' LEU . 1.5 ttpm? -56.18 -33.59 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.676 -0.693 . . . . 1.68 110.385 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 86.7 m -85.11 -28.03 25.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.778 -0.646 . . . . 1.2 109.626 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.524 ' HB3' ' HA ' ' A' ' 59' ' ' TRP . 4.7 tp -64.01 -31.8 73.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.031 -0.986 . . . . 1.34 110.145 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -90.16 -43.66 14.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.98 -0.554 . . . . 0.56 110.658 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.477 ' HB2' HD22 ' A' ' 82' ' ' LEU . 0.9 OUTLIER -57.96 -33.93 69.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 1.52 110.801 179.292 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.8 t -74.04 -21.93 59.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.965 -0.561 . . . . 1.74 111.535 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.94 -77.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.64 111.303 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -165.21 23.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 3.49 111.135 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.29 -29.05 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 1.25 110.765 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.9 m 45.92 66.51 5.31 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 115.899 -0.591 . . . . 1.79 111.489 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HG3' ' ND1' ' A' ' 64' ' ' HIS . 72.6 Cg_endo -78.29 -20.18 11.36 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.512 2.142 . . . . 1.58 112.212 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -66.4 -37.19 84.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 3.37 110.946 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 62.31 7.46 2.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.121 -0.491 . . . . 4.29 111.311 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.473 ' HG2' ' HG2' ' A' ' 74' ' ' ARG . 37.4 ttm180 -172.65 -74.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 5.94 110.792 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.473 ' HG2' ' HG2' ' A' ' 73' ' ' ARG . 16.7 ptm180 -166.48 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.465 . . . . 8.91 110.943 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.7 158.73 39.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 3.71 112.468 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -127.82 84.36 63.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.71 0.291 . . . . 5.92 111.067 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.72 -86.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.366 2.044 . . . . 1.99 112.277 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG12 ' HG3' ' A' ' 80' ' ' GLN . 41.9 t -130.33 91.73 37.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 1.82 110.842 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.501 ' HB2' HD11 ' A' ' 82' ' ' LEU . 58.9 Cg_endo -71.98 92.46 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.406 2.071 . . . . 1.05 112.416 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' HG3' HG12 ' A' ' 78' ' ' VAL . 97.6 mt-30 -96.28 -25.62 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.066 -0.515 . . . . 2.18 110.958 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -50.77 -38.97 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.77 -0.65 . . . . 1.84 111.726 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -68.57 -58.68 3.92 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.489 -0.323 . . . . 1.5 110.954 -179.592 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.588 ' HG ' ' HD2' ' A' ' 60' ' ' LYS . 25.6 mt -56.31 -25.81 49.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.816 0.341 . . . . 0.74 110.869 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -72.12 -49.66 34.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 1.33 110.836 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -73.43 -19.99 60.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 2.4 111.131 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 82' ' ' LEU . 46.9 t -76.46 -57.66 5.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.315 -0.402 . . . . 0.55 110.97 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.19 -26.95 68.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.345 -0.389 . . . . 1.24 110.595 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -75.46 -56.69 4.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 1.18 110.766 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.64 -47.33 79.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.27 111.16 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -59.18 -55.39 35.56 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-O 121.178 0.513 . . . . 1.32 110.407 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.12 -31.53 59.08 Favored Glycine 0 C--O 1.225 -0.46 0 CA-C-N 115.491 -0.777 . . . . 0.34 111.796 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -67.06 -40.28 87.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.705 0.288 . . . . 0.4 110.232 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.526 ' HB3' ' HA ' ' A' ' 33' ' ' THR . 41.1 m0 -58.72 -54.5 46.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.901 0.382 . . . . 0.42 110.426 179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 73.6 p -68.06 -48.57 65.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.5 112.133 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -67.43 -64.03 0.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.398 . . . . 2.24 112.007 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -63.85 -20.04 65.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.72 0.295 . . . . 3.17 111.168 -178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 57.9 69.87 0.7 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 2.39 110.916 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 27.0 ptm 38.87 40.67 0.45 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.867 -0.606 . . . . 2.74 111.444 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 58.24 68.28 0.85 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.936 -0.575 . . . . 5.0 110.644 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 60.37 -178.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.863 -0.608 . . . . 5.86 111.134 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.8 tp -64.32 -29.82 70.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.994 -0.548 . . . . 4.78 110.888 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.405 ' HG3' HD22 ' A' ' 104' ' ' ASN . 29.6 tt0 -67.65 118.18 10.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 5.82 110.899 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -96.67 2.71 52.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 5.22 110.896 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.405 HD22 ' HG3' ' A' ' 102' ' ' GLN . 35.2 m-80 -79.13 80.38 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 5.65 110.794 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.536 -0.745 . . . . 4.19 111.323 179.864 . . . . . . . . 0 0 . 1 stop_ save_