data_2n8q_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 2n8q _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.455 ' O ' HG12 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.843 0.354 . . . . 73.21 111.103 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.67 83.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 63.13 112.471 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.43 87.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 74.2 111.113 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -50.5 -31.15 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.127 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.52 99.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.847 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -43.7 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 63.31 110.873 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -62.04 -40.64 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 74.1 110.938 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -55.07 -42.68 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.11 111.098 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -56.71 -27.16 58.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.859 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.62 -17.81 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.083 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.87 44.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 72.42 111.115 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.02 -20.49 39.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 55.52 110.921 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.59 164.41 15.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.68 0.752 . . . . 73.03 110.861 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.69 21.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 74.53 112.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -60.95 175.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 75.45 111.142 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -129.36 145.99 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.884 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -132.02 121.3 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 72.25 110.881 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 70.5 110.906 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB2' HD21 ' A' ' 79' ' ' LEU . 5.2 tt -126.42 123.46 37.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.909 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.63 117.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.04 111.138 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -111.94 122.24 47.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.76 -44.03 5.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.929 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.68 155.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.85 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 75.41 110.854 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.84 0.352 . . . . 74.23 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.93 -14.44 8.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 74.12 110.83 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -114.39 135.18 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.852 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -147.67 142.88 27.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 75.45 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD21 ' HB2' ' A' ' 51' ' ' LEU . 3.0 tm? -128.86 118.55 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.921 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -126.9 154.72 44.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.892 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.54 133.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 70.51 111.099 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -119.97 114.7 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 74.31 111.154 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.21 103.88 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 74.23 110.838 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.0 6.32 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.914 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.1 79.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.54 111.139 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.7 83.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 138.48 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.891 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.63 -54.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 71.52 112.48 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -73.94 161.35 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 74.25 110.959 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.1 p -46.37 100.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.15 111.132 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.62 -31.73 38.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.928 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.2 m -57.39 -20.88 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 73.35 111.119 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -49.26 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.2 110.882 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -60.78 -47.46 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.922 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -60.7 -44.55 96.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 65.22 110.88 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.11 -32.47 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.936 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.72 -50.54 73.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.872 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' TYR . 28.5 pt -83.66 -22.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.118 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ILE . 24.3 p90 37.56 55.26 1.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.961 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.78 -37.72 3.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 60.3 112.472 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.69 158.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 72.34 110.913 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp 65.52 37.03 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 74.53 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.2 p -116.46 -79.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 61.53 110.847 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.34 -25.31 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 54.12 110.86 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -35.71 75.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.851 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.3 -34.47 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.91 -24.98 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.99 23.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 73.13 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.33 -5.23 38.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 70.11 112.478 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.81 144.99 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 72.53 110.931 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -49.17 168.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.851 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -137.59 161.99 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.13 111.11 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.25 137.59 53.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.927 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -137.8 143.47 41.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.113 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.7 mtt -142.86 119.81 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.835 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.6 t -118.48 124.18 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 71.03 111.122 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -120.52 117.33 27.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 63.12 111.145 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.87 147.98 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 73.13 111.114 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.853 0.359 . . . . 62.51 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.01 -40.63 66.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 43.14 112.557 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.28 -26.62 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 72.12 111.087 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 3.1 tt -51.97 -32.0 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.097 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -66.84 -37.2 84.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.872 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 m -65.08 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 63.15 110.813 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 2.8 ptmt -63.73 -33.67 76.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.946 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -59.48 -42.22 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.124 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -26.69 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.877 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.26 -21.6 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 71.42 111.172 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.17 -23.47 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 55.34 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.46 -19.74 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 63.11 110.906 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.66 157.9 36.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.656 0.741 . . . . 73.24 110.868 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 77.74 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 71.01 112.369 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 t -152.86 -171.39 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 74.23 111.162 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -128.39 146.28 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 75.01 110.833 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -133.92 133.41 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.872 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.56 115.63 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.29 120.32 29.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 65.51 110.927 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.24 116.91 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.43 111.098 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.83 122.74 47.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.859 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.95 -45.5 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 63.21 110.866 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.86 -169.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.9 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.851 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.865 0.364 . . . . 74.41 111.135 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -124.92 -29.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.858 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -112.42 138.0 49.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 74.2 110.924 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -147.15 141.93 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.898 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -131.33 123.7 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.85 140.52 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 71.05 110.842 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.58 139.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 73.12 111.144 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -120.09 114.48 22.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.141 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.93 105.56 14.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.852 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.38 6.9 5.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 62.02 110.846 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.92 77.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 60.42 111.073 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.54 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.861 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.59 141.06 55.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.82 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.6 -40.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 72.13 112.491 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.96 160.61 14.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 74.03 110.901 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -43.61 124.81 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.32 111.191 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -71.92 -27.35 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.919 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.53 -18.14 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.02 111.131 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -50.26 65.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.893 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -47.96 66.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.883 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -59.08 -34.97 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.855 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.36 -34.51 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.938 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.0 mt -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.905 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.7 pt -81.84 -31.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 70.53 111.149 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.0 p90 38.82 41.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 65.11 110.926 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -83.81 -32.16 24.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 75.22 112.508 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.23 161.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 72.42 110.874 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.1 tp 63.85 91.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 73.5 110.891 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.43 -74.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.812 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -72.29 -40.86 67.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.53 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.48 -31.51 46.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 73.2 110.852 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -39.97 92.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -59.6 -20.38 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.936 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.88 -38.9 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 74.42 111.118 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.14 11.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 65.23 112.514 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -114.51 140.08 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 72.53 110.925 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.884 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.44 161.0 38.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.12 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.76 150.88 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.912 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -136.65 128.26 28.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.52 111.146 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.8 mtt -142.36 118.92 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.897 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.5 p -121.25 126.35 49.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 72.11 111.167 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.62 109.62 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.23 111.138 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 146.18 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.859 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 75.3 111.127 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.786 0.327 . . . . 73.31 111.096 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.61 -37.72 50.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 75.15 112.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.21 -25.84 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 71.23 111.099 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -51.45 -31.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 73.02 111.087 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -37.73 86.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 75.52 110.9 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.5 m -64.87 -48.1 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.902 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.66 -42.33 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.23 111.119 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.0 -33.83 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.877 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.72 -19.92 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 62.31 111.093 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.52 -29.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.26 -20.18 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 73.25 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.0 164.46 15.48 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.679 0.752 . . . . 75.14 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -14.4 35.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 75.02 112.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -59.23 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 65.44 111.109 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -128.7 139.97 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.888 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -123.32 133.16 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 63.44 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.6 114.99 18.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 72.32 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tt -126.67 120.12 28.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 65.04 110.909 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -126.77 116.11 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 63.12 111.151 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.76 122.02 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 65.42 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 -33.71 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.857 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.2 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.843 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.4 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.869 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.819 0.343 . . . . 73.42 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -122.09 -23.88 5.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.811 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -112.91 140.68 47.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 74.22 110.891 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -147.71 140.18 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.25 110.855 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -128.72 118.36 22.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -133.33 138.85 46.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.912 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.34 135.25 63.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.093 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.3 m -118.61 114.26 22.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 65.23 111.159 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.61 107.83 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.894 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.75 4.08 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.862 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.83 81.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -176.73 57.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 63.22 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 145.39 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.857 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.57 -90.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 53.54 112.501 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.43 160.29 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 74.42 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 p 58.11 33.29 23.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.147 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -72.27 -34.4 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.25 -24.26 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 63.2 111.147 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.23 110.914 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -48.97 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.883 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.8 -38.11 86.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.888 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.21 -38.04 63.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.92 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.7 mt -51.77 -50.53 60.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.921 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.0 pt -77.94 -40.58 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 71.31 111.107 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.7 t80 44.58 58.5 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.885 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.56 -35.22 4.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 72.4 112.499 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 35.4 tp -50.69 158.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 65.04 110.931 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.38 87.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.924 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.35 -77.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.84 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.6 -32.84 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.34 110.85 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.81 -31.27 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 62.22 110.875 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -63.09 -42.17 99.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -61.95 -18.28 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.83 -38.62 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 73.25 111.079 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.21 -7.06 40.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 72.11 112.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.35 143.09 48.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 73.1 110.906 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.99 177.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.831 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -130.94 161.06 32.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.11 111.049 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.51 128.94 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.35 110.921 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.0 140.14 45.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 64.43 111.117 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.11 120.5 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.32 110.887 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.2 t -107.57 129.18 55.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 71.42 111.143 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.96 107.63 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 64.42 111.17 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.4 144.36 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.852 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 72.23 111.157 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.783 0.325 . . . . 75.13 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -39.68 96.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 70.3 112.495 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.23 65.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 75.11 111.138 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.414 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -50.95 -30.69 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.24 111.125 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.877 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -65.03 -48.05 75.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 63.12 110.89 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -63.31 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.24 110.913 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.65 -40.45 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.096 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.13 -32.72 66.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.842 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.28 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 62.12 111.102 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.61 -22.08 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 72.45 111.055 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.53 -19.97 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.12 164.41 14.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 64.34 110.866 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -5.97 17.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.696 2.264 . . . . 72.34 112.353 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -57.75 -175.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 71.35 111.169 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -128.53 129.2 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.873 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -122.39 127.4 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.21 110.847 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.88 114.79 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.901 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.79 120.38 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.877 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.08 114.06 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 75.05 111.123 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.92 123.12 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 72.15 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -37.74 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.25 110.818 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.8 t 50.69 -168.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.875 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.883 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.851 0.358 . . . . 74.23 111.142 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -129.34 -32.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.866 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -112.87 134.02 54.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 75.12 110.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -149.61 143.24 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.878 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -130.54 118.08 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.01 141.45 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.825 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.25 126.15 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 72.33 111.167 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -119.83 114.06 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.23 111.121 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.68 7.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.84 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.19 77.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.32 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 177.77 86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 70.1 110.862 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.56 143.56 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.873 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.67 -42.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 70.31 112.483 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.23 161.41 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 74.31 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.9 t -41.51 127.28 3.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 72.31 111.135 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -71.75 -24.64 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.901 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 m -55.86 -26.88 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -69.18 -50.76 44.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.54 110.857 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -47.95 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 74.11 110.852 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.91 -36.63 77.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.87 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -73.59 -37.31 65.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.933 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.7 mt -52.56 -51.71 58.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.914 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.1 pt -79.22 -40.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 65.55 111.137 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 t80 41.5 59.05 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.44 -37.14 3.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 60.15 112.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 162.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 74.42 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.81 99.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 70.35 110.904 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.85 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 65.14 110.858 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.19 -40.58 30.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.4 110.893 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.883 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.27 -48.09 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 71.12 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -59.17 -19.7 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.41 ' CB ' ' CD2' ' A' ' 110' ' ' LEU . . . -89.21 -58.22 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.074 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.82 19.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 75.44 112.503 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.41 ' CD2' ' CB ' ' A' ' 108' ' ' ALA . 0.6 OUTLIER -112.28 140.53 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 75.01 110.918 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.9 166.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.834 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -141.07 162.69 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 43.54 111.101 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.24 149.62 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.944 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.21 118.57 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.3 111.07 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.3 mtp -142.31 118.94 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.882 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -128.53 116.25 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 75.2 111.149 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 t -121.31 108.3 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.136 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -124.29 149.95 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.575 0.703 . . . . 74.41 111.144 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.867 0.365 . . . . 74.54 111.114 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.46 -39.0 52.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.13 112.486 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.45 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.309 . . . . 54.21 111.095 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -32.85 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 73.13 111.131 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -42.01 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.877 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -64.74 -43.56 92.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.3 110.836 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -33.94 75.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.868 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.17 -42.24 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.102 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -55.17 -30.91 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.92 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.37 -23.88 27.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 63.14 111.06 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.92 -34.29 77.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 70.42 111.075 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -18.22 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.877 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.36 161.8 21.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.686 0.755 . . . . 73.44 110.857 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 95.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 75.23 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -176.21 -167.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 74.54 111.091 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 143.77 51.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.53 110.841 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -133.43 128.63 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -127.52 113.21 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.933 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.06 119.42 25.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.92 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.33 115.61 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 74.1 111.092 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -110.76 123.43 50.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.932 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.74 38.81 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -46.55 152.92 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.855 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.7 t60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.844 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.88 0.371 . . . . 75.31 111.128 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -175.76 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -106.59 133.77 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -148.82 143.88 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.879 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -131.78 118.76 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.928 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 142.69 49.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 62.22 110.912 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.4 m -128.96 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.34 111.188 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.8 m -120.51 113.51 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.115 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.22 107.74 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.55 110.843 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.86 6.47 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.4 110.876 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.71 82.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.1 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 179.86 80.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.837 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 130.84 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.54 110.876 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.98 -62.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 75.05 112.471 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.53 160.19 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 64.42 110.902 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 t -45.87 127.74 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 73.22 111.16 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -71.81 -32.95 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.933 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 m -56.99 -22.18 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.33 111.115 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -49.05 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 72.12 110.888 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -48.6 67.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 73.21 110.876 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -30.04 70.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.795 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.94 -45.28 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 63.14 110.924 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.3 mt -52.83 -50.21 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 60.5 110.937 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 25.4 pt -82.22 -25.07 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.6 p90 37.93 43.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 64.31 110.941 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.41 -24.67 62.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 64.51 112.528 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.1 155.71 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 73.12 110.894 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.57 105.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 65.42 110.861 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.42 -74.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.852 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -77.32 -41.66 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 71.44 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.1 -30.58 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.917 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -62.97 -27.95 69.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 74.52 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -79.5 -19.52 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 75.33 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.404 ' HB1' HD22 ' A' ' 110' ' ' LEU . . . -94.73 -45.19 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.03 111.079 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.7 18.56 11.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 71.3 112.482 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.404 HD22 ' HB1' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -121.32 137.09 54.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 75.34 110.937 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.18 179.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.918 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -147.56 161.19 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 63.45 111.123 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.57 146.91 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.9 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -141.58 143.5 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 75.52 111.123 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 8.7 mtm -142.47 120.11 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.04 110.924 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.7 p -116.03 125.48 52.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.41 111.124 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 t -120.22 109.81 15.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 73.53 111.098 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.82 144.92 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.899 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 65.14 111.17 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.832 0.348 . . . . 74.34 111.099 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -37.63 50.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 61.24 112.492 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.27 -26.51 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 73.35 111.112 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.81 -31.55 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.147 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -62.97 -40.69 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.54 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -64.88 -45.28 86.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.848 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.22 -33.69 76.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.936 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.22 -38.56 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.35 111.085 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -26.93 68.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.39 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 65.41 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.76 -26.33 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 74.54 111.116 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.65 -26.94 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 65.01 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.42 160.48 26.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.693 0.758 . . . . 72.32 110.848 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.652 2.235 . . . . 73.54 112.336 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -175.9 -171.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.142 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -128.1 143.19 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.872 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -132.39 129.16 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.904 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 111.76 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 tt -129.08 116.52 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.916 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.15 114.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.136 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.07 100.69 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 53.3 110.92 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -36.03 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.874 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.36 159.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.839 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 74.44 110.854 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.834 0.35 . . . . 73.54 111.118 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.24 -14.46 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.899 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -112.55 136.13 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.21 110.845 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -146.69 143.02 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.3 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.91 118.38 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.939 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.56 143.41 41.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.905 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.19 137.7 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 73.34 111.103 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 m -120.18 113.48 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.169 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.11 104.6 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.859 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.73 7.0 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 73.41 110.846 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.34 84.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 75.51 111.105 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.6 86.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.35 110.863 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 136.16 45.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 73.03 110.919 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -159.85 -40.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.801 -0.714 . . . . 74.15 112.499 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 pp -94.7 159.97 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 73.41 110.911 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.4 p -48.28 106.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.25 111.154 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -53.26 -28.76 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.0 m -58.22 -22.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 72.3 111.115 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -49.65 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.859 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -66.16 -47.89 72.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.822 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -34.08 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.828 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -73.58 -33.44 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 61.45 110.927 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.71 -51.67 67.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.3 pt -83.01 -26.58 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.3 p90 38.5 46.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.49 -37.25 53.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 63.42 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.02 174.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 75.53 110.923 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 62.46 84.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.909 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.97 -75.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.875 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.15 -34.23 49.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.89 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -38.19 66.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.889 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -59.17 -32.35 69.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -74.1 -19.49 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.04 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.81 -46.09 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.3 111.094 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.15 -6.98 40.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 74.2 112.447 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.87 143.09 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 75.34 110.92 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 174.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.844 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -134.78 162.77 31.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.53 111.062 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 138.1 54.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.905 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.24 137.23 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 74.44 111.16 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.2 mtm -142.35 119.81 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 74.45 110.915 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 p -115.92 125.17 52.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 72.43 111.145 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 t -120.33 109.84 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.141 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -139.83 140.51 36.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 73.13 110.863 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.581 0.705 . . . . 64.22 111.14 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' O ' HG12 ' A' ' 36' ' ' ILE . . . . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.867 0.365 . . . . 74.41 111.125 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -31.51 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.8 -0.714 . . . . 55.01 112.469 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.58 97.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 74.54 111.119 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -51.51 -31.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 75.42 111.136 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -62.18 -44.07 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 71.12 110.913 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -41.28 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.88 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -43.35 98.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.12 110.931 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.0 t -56.43 -42.03 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.52 111.112 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.19 -27.56 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.05 110.883 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.53 -28.5 14.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 72.31 111.101 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.3 -23.21 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 74.02 111.1 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -17.33 50.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.944 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.79 162.5 23.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 73.45 110.841 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 96.14 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 62.25 112.321 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.8 t -170.77 -171.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 70.24 111.133 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -128.12 146.44 50.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.852 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -136.55 119.75 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.43 110.889 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -115.12 114.85 25.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.22 110.894 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 tt -125.38 122.14 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 72.4 110.905 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.36 116.59 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.33 111.118 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -107.15 123.5 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.873 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.43 28.04 8.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.888 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -47.14 161.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 61.24 110.84 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.0 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.41 110.891 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.863 0.363 . . . . 74.04 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -173.8 -29.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.831 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -107.93 137.71 45.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.84 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -147.88 142.61 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.895 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -129.78 123.39 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.24 110.941 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -142.26 134.73 27.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.9 m -120.36 140.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 73.44 111.151 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.9 m -119.82 114.46 22.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.52 111.114 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.39 104.9 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 61.25 110.86 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.08 7.37 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.847 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.0 79.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 178.8 89.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -70.78 132.49 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 75.1 110.92 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.03 -39.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 71.24 112.475 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.88 159.71 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.371 . . . . 70.34 110.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.1 p -48.15 108.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.144 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -54.08 -29.64 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 74.1 110.892 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.2 m -59.63 -19.14 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.44 111.128 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -49.91 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.928 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -66.79 -47.67 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.69 -34.97 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -73.79 -33.21 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.921 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.21 -52.01 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.883 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 99' ' ' TYR . 32.1 pt -83.76 -23.91 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.51 111.121 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ILE . 30.3 p90 37.16 50.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 65.13 110.945 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.95 -37.28 8.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 71.44 112.483 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.17 160.29 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.348 . . . . 73.32 110.945 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.68 23.46 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 m -100.89 -82.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.887 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.89 -23.06 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 64.34 110.818 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.89 -47.48 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.905 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -25.69 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 71.33 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -32.56 73.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 63.52 110.849 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.406 ' CB ' HD13 ' A' ' 110' ' ' LEU . . . -74.83 -43.45 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.092 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.83 3.18 30.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 54.45 112.498 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.486 ' H ' HD21 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -121.88 142.93 49.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 72.55 110.907 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 179.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.33 162.57 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 64.44 111.093 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.86 151.29 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.968 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -143.78 139.02 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 51.43 111.07 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 2.7 mtp -143.0 118.97 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.819 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.9 p -113.68 128.24 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 74.43 111.128 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 t -121.29 109.75 15.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 75.31 111.171 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -137.33 141.88 41.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.904 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 74.53 111.161 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.861 0.362 . . . . 75.21 111.082 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.34 -40.18 97.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.759 . . . . 72.1 112.517 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.32 -27.27 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 74.22 111.074 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.71 -33.12 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.111 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.918 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 m -62.5 -47.88 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 75.15 110.894 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HZ1' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -66.76 -30.18 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 74.33 110.891 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 38.6 t -58.96 -38.46 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.53 111.142 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.05 -27.2 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 75.23 110.873 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.26 -19.57 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.061 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.48 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 72.35 111.084 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 mt -60.77 -18.28 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 73.54 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.17 160.7 42.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.658 0.742 . . . . 63.15 110.819 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 106.37 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.692 2.261 . . . . 73.11 112.367 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -174.21 -177.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 65.41 111.131 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -128.25 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.4 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.444 ' HB2' ' HD3' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.83 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.445 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -132.52 124.59 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.86 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tt -126.39 118.4 24.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.883 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 77' ' ' PHE . 1.9 pp -127.12 117.95 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 75.31 111.137 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.31 123.16 49.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.838 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -52.74 10.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.89 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.26 -168.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.901 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.864 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.811 0.339 . . . . 74.14 111.184 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.69 -38.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.852 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -111.08 144.06 40.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.865 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -141.21 138.05 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.22 110.885 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.82 118.33 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.34 140.28 53.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.58 125.46 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 62.01 111.114 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.1 m -120.24 114.75 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 74.13 111.159 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.91 104.93 13.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 61.34 110.909 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.59 7.16 5.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.59 80.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 70.12 111.086 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.79 92.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 61.2 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 124.26 24.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.64 -64.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 75.34 112.474 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.35 159.14 30.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 73.01 110.9 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.2 p -50.5 110.6 0.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.157 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -55.77 -25.9 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.892 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 33.9 m -56.73 -28.1 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.02 111.154 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -49.93 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 75.03 110.881 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.97 -46.65 77.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.89 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -62.53 -32.85 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 65.35 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.86 -32.54 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.35 110.915 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.04 -52.59 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 71.13 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.4 pt -82.34 -32.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 73.14 111.099 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.5 p90 39.49 41.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.893 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.63 -33.01 63.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.732 . . . . 72.21 112.485 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.41 152.78 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 75.4 110.87 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.3 tp 67.57 91.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.05 110.907 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -172.08 -72.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.857 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.49 -40.76 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 73.12 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.02 -30.55 36.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.872 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -59.35 -22.33 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.898 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.8 -39.66 8.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.083 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.86 19.5 10.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.32 112.517 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.51 140.67 49.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 74.54 110.919 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -170.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.894 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.07 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.15 111.146 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.1 pp -122.42 149.96 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 73.45 110.927 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -138.29 132.14 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.41 111.08 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.52 120.87 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.888 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.7 t -126.81 124.97 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.156 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -120.71 110.1 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 75.51 111.185 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -126.7 143.46 51.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.861 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 63.52 111.146 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.451 ' O ' HG13 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.853 0.359 . . . . 72.13 111.111 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.14 83.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 75.11 112.452 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.04 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 74.22 111.126 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -52.85 -27.24 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.35 111.147 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.4 mmpm? -62.94 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.903 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 m -66.68 -40.79 88.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.862 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.51 110.878 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.25 -39.99 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.43 111.13 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -26.21 61.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.88 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.14 -21.7 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 62.44 111.13 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.35 -22.74 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.07 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.38 -20.85 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 70.33 110.931 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.59 160.68 33.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 72.53 110.864 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 71.22 112.349 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -175.88 -179.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.5 111.163 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -128.5 124.93 37.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.52 110.888 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -114.57 126.44 54.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.9 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -123.51 113.93 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.0 tt -126.24 125.89 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.895 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.09 111.29 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 73.42 111.141 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -114.11 124.09 51.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.04 110.881 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -89.07 -15.51 33.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.46 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.887 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.839 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.847 0.356 . . . . 72.32 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -123.38 -30.83 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.874 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.57 134.66 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.906 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -137.94 142.82 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.868 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.19 118.53 29.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.921 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.42 121.14 31.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.57 126.44 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.15 111.149 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -118.84 117.92 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 52.33 111.123 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.78 104.56 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 71.42 110.842 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 69.08 6.1 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.857 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.28 81.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.34 111.109 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.81 88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 72.5 110.888 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 137.67 39.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.44 110.934 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -160.21 -38.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 62.13 112.432 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 pp -91.41 160.24 15.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.929 0.395 . . . . 71.54 110.89 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.7 p -47.48 109.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 64.25 111.159 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.31 -26.08 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.907 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.1 m -60.96 -25.31 35.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.11 111.132 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -67.96 -49.33 62.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.898 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -46.97 77.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.3 110.872 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -62.24 -33.44 74.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 72.31 110.902 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.31 -33.14 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.05 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.24 -53.08 61.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.898 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' TYR . 36.9 pt -82.84 -26.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.41 111.135 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ILE . 36.4 p90 38.43 42.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.908 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.5 -21.49 69.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 53.11 112.489 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.66 161.7 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 72.23 110.884 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 51.32 46.34 26.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.901 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.5 p -112.75 -80.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.877 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -79.66 -23.15 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 64.44 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -39.29 61.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.862 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.66 -44.52 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.55 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -59.44 -19.86 50.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.04 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -96.63 -54.48 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.151 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.0 18.24 10.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 63.22 112.464 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.43 140.77 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.348 . . . . 74.31 110.928 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.54 176.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.91 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.8 161.69 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.52 111.073 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.74 151.63 41.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.924 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.45 136.57 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 64.43 111.116 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.1 mtp -142.85 118.3 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.887 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.8 t -127.55 121.84 31.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 73.42 111.159 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.65 109.57 15.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.3 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -134.44 140.49 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.902 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 75.03 111.152 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.824 0.345 . . . . 73.31 111.072 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -38.64 95.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 70.23 112.465 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -25.08 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 75.22 111.102 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -30.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.04 111.116 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -41.14 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 72.03 110.897 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -65.05 -45.36 85.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 65.24 110.878 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -62.96 -33.16 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 73.52 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.41 -40.08 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 75.54 111.125 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.16 -37.36 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.821 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.45 -19.46 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.54 111.088 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 74.32 111.094 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.11 -20.31 57.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -96.84 166.83 13.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 74.41 110.867 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.79 -7.66 21.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.647 2.231 . . . . 71.5 112.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 t -71.37 176.14 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 71.23 111.145 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -128.62 124.69 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 74.55 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -115.46 118.09 32.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -105.3 117.8 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 74.45 110.885 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.45 121.52 35.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.899 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -126.35 114.72 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.13 111.157 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.34 124.39 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 70.44 110.916 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.8 -78.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.856 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t 66.74 -178.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.53 110.853 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.879 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 65.41 111.096 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -33.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 75.4 110.867 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.59 133.9 52.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.868 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.79 119.72 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 70.15 110.869 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.16 117.55 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.893 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 129.27 51.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.862 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.84 127.26 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 63.22 111.146 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -121.2 118.03 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.161 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.29 104.41 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.857 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 67.64 7.27 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.899 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.83 84.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.32 111.107 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.98 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.85 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -74.09 140.59 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 75.2 110.937 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.07 -33.89 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 75.41 112.477 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.75 160.71 14.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 73.41 110.941 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.66 108.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.41 111.138 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -72.4 -33.73 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.889 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.91 -23.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.14 111.166 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -67.44 -49.17 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.937 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 75.42 110.919 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.74 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -67.98 -39.32 83.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.14 110.922 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.9 mt -51.81 -52.23 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.889 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 pt -79.88 -33.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.137 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.5 t80 44.0 56.56 4.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.95 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.74 -37.49 3.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 63.14 112.48 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.2 160.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.366 . . . . 75.45 110.921 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 64.58 86.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.939 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.07 -74.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 71.12 110.869 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.76 -22.76 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 74.03 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.94 -28.34 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.88 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -33.76 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.924 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -81.01 -34.65 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 74.44 110.913 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.08 -53.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.14 111.088 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.18 17.25 11.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.751 . . . . 71.44 112.487 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.56 139.54 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 75.44 110.939 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -174.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.837 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.52 157.4 42.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.44 111.048 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.64 146.75 47.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.05 110.904 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -133.32 137.85 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.21 111.14 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 7.9 mtm -142.34 119.08 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 p -123.34 118.95 28.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 74.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.5 108.8 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 72.44 111.152 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -132.21 141.76 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.906 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 31.4 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.548 0.689 . . . . 75.43 111.142 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.847 0.356 . . . . 65.32 111.086 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.93 51.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 60.32 112.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.05 -26.53 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 73.02 111.095 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -30.26 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.2 111.16 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -40.47 96.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.92 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 m -65.09 -45.15 86.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.846 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -63.92 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.862 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.19 -41.75 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.24 111.164 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -26.7 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.87 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.62 -20.88 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.51 111.138 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.25 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 75.21 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.16 -39.5 86.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.948 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.15 164.55 51.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 64.2 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 77.13 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.745 2.297 . . . . 72.13 112.372 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -163.65 173.59 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.155 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -128.93 125.03 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.834 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -116.41 119.53 35.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.01 110.885 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.18 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 73.3 110.932 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 tt -126.48 121.67 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.931 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -126.57 115.88 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.1 111.126 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.99 128.32 55.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.24 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.75 -52.93 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.6 160.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.86 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 t60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.907 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.469 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.87 0.367 . . . . 74.12 111.101 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.51 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 74.03 110.818 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' ' 52' ' ' ILE . 44.8 t80 -108.54 136.35 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 75.52 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -147.75 138.98 23.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 64.02 110.846 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.74 116.16 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.903 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -122.83 149.93 43.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 74.43 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.05 126.44 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.121 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -119.8 118.11 29.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 63.43 111.181 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.83 108.27 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.866 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.42 6.32 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.865 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.56 76.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 64.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 179.72 90.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.1 110.917 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.25 139.89 56.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.02 -73.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 75.21 112.498 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.77 159.18 31.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 75.2 110.915 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -48.21 128.95 14.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.11 111.141 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.87 -25.51 61.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 72.41 110.92 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 m -57.09 -28.79 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.13 111.143 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -50.09 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 71.1 110.852 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -62.51 -47.21 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.33 110.821 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -39.89 89.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.822 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.66 -41.39 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.03 110.923 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.9 mt -51.3 -51.41 54.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 72.51 110.938 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.4 pt -79.38 -35.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.098 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 t80 43.83 54.13 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.947 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.87 -15.33 29.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 73.52 112.464 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.79 59.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 73.01 110.9 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.74 92.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.885 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.83 -76.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 70.21 110.871 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -77.8 -40.18 41.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 74.15 110.85 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.69 -43.61 90.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 65.53 110.861 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -60.04 -35.01 74.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.35 110.877 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.41 -24.46 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.44 -26.56 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.21 111.051 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.47 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 55.31 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.529 ' CD2' ' C ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -76.34 147.02 38.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 74.03 110.947 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.07 131.17 41.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.64 163.13 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.09 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.63 151.13 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 64.33 110.971 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -138.4 133.42 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.23 111.088 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.06 120.1 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.864 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 p -123.71 123.4 40.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.098 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -121.2 109.89 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.101 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -133.71 140.85 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.94 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 64.45 111.15 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.793 0.33 . . . . 73.32 111.083 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.51 52.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 74.2 112.537 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.71 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 71.13 111.127 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -33.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.179 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 72.42 110.898 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -64.37 -39.77 94.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.892 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HE2' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.53 -43.13 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.13 110.876 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.65 -38.58 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 75.33 111.153 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.26 -35.89 70.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.5 -16.87 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 63.23 111.134 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.32 -24.04 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 62.35 111.137 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -18.58 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.42 164.63 19.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 73.11 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -6.97 19.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 65.12 112.354 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -66.89 -177.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.149 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -128.69 140.8 51.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.839 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -126.86 130.33 49.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.52 110.869 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -127.02 113.94 17.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.905 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tp -126.97 126.6 43.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.47 113.59 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.34 111.138 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.65 125.63 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 73.22 110.884 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.37 -37.09 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 70.23 110.835 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.1 -168.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.834 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 74.4 110.864 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.83 0.348 . . . . 74.44 111.162 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -117.4 -15.15 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 72.03 110.862 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.86 135.42 53.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 71.31 110.893 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.73 133.77 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 74.55 110.869 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 39' ' ' LYS . 1.4 tt -123.84 125.97 45.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.31 110.904 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -141.08 124.23 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.914 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.99 134.88 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 71.33 111.108 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.5 m -120.03 113.64 20.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 71.25 111.15 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.14 105.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 62.05 110.837 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.36 6.0 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 71.12 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.59 79.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.5 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.51 83.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 75.03 110.857 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 126.89 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 74.23 110.948 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.98 -70.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 73.43 112.49 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.39 161.24 28.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 74.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 t -41.5 126.21 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 75.4 111.105 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -72.2 -32.45 66.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.919 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 m -57.98 -21.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.33 111.128 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -49.8 63.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.858 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -61.56 -48.1 82.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.865 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -25.32 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.827 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -75.43 -33.16 60.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.886 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.63 -50.3 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.853 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.4 pt -83.63 -21.74 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 72.21 111.142 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.3 p90 38.25 58.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.943 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.75 -37.22 4.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 72.21 112.498 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.2 tp -50.68 145.9 6.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 73.2 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.14 129.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.953 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.66 -86.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 62.53 110.851 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -80.6 -20.44 43.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.67 -30.3 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.89 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -40.82 74.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.869 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -62.2 -22.66 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -95.12 -43.56 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 72.2 111.118 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.6 19.36 11.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 62.42 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -113.06 138.23 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 74.35 110.903 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.37 -167.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.862 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.83 162.0 29.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 64.52 111.097 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.44 136.99 54.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 72.3 110.9 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -120.79 129.81 53.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.042 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.24 119.71 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.846 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.36 122.47 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 65.33 111.121 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -121.37 109.39 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.23 111.164 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.72 143.06 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.905 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 63.23 111.169 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.85 0.357 . . . . 72.25 111.072 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.16 -38.06 87.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 74.23 112.499 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.99 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 72.21 111.127 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -51.34 -29.48 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 64.15 111.149 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.02 110.926 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 m -66.34 -45.16 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 71.01 110.892 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -32.58 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.32 110.906 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.6 t -62.06 -41.8 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.52 111.121 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -56.96 -35.75 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.866 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.81 -22.33 50.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 73.04 111.065 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.25 -24.33 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 75.12 111.072 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.29 -20.08 57.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 72.22 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.3 161.73 28.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.718 0.771 . . . . 75.43 110.824 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 102.97 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 75.43 112.34 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -175.63 -176.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 71.24 111.154 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -128.34 144.8 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 72.23 110.928 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -132.04 126.94 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.1 110.898 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.15 114.43 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tt -126.46 129.37 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.929 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -127.32 116.07 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 70.22 111.131 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -111.75 105.24 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -29.94 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.838 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.27 -172.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 74.33 110.858 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.9 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.882 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 73.23 111.115 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -121.54 -21.38 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.839 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -112.3 133.83 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.876 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.7 145.79 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.84 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 tt -123.37 126.13 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 73.31 110.905 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -135.91 118.72 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.913 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 m -116.74 135.14 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 73.51 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -119.22 113.6 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.33 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.06 103.67 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.849 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 72.07 0.06 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.883 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.57 84.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.158 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -178.75 57.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 74.35 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 142.02 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.6 -93.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 70.42 112.498 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.84 160.76 20.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 62.11 110.903 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 p 59.3 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.136 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -72.6 -34.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 71.2 110.98 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 m -60.29 -22.08 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 62.34 111.159 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -63.8 -42.0 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.931 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -68.67 -48.49 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -64.69 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.12 110.847 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.92 -39.3 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 74.43 110.904 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.99 -49.59 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 75.01 110.933 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 33.9 pt -81.39 -23.75 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.151 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.2 p90 38.94 40.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.918 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.75 -37.16 57.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.53 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.22 154.82 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 73.54 110.966 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.76 54.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 64.53 110.903 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.0 p -139.28 -79.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 75.01 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.1 -23.17 44.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 72.44 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.15 -40.64 64.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.918 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.29 35.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.86 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.22 -30.06 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.51 110.919 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.59 -46.4 47.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.08 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.3 -6.32 39.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 70.12 112.484 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.2 145.28 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 73.12 110.89 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.62 163.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.813 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.37 161.54 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 62.24 111.107 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.71 129.12 45.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.51 110.923 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -130.92 121.64 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 52.1 111.025 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 11.9 ptp -119.62 119.78 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.853 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -106.44 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.54 111.18 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.86 109.57 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 64.15 111.154 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.24 149.22 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.877 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.567 0.698 . . . . 74.55 111.179 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.825 0.345 . . . . 74.33 111.088 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.25 -38.77 57.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 41.23 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.85 67.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 74.23 111.12 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.95 -31.02 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 65.3 111.114 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -40.18 97.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.887 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 p -65.22 -45.36 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 70.3 110.829 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -63.14 -33.42 75.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.54 110.893 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.71 -41.41 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 74.35 111.158 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -26.72 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 64.4 110.891 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.62 -22.32 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 74.5 111.136 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.44 -22.95 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.23 111.088 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.87 -32.16 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.904 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.47 159.89 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.672 0.749 . . . . 72.43 110.839 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 104.7 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 74.12 112.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -176.12 -171.89 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.171 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -127.64 124.37 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 70.23 110.88 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -115.47 130.86 57.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.877 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 1.9 tppt? -128.02 113.52 15.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 74.2 110.904 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.41 119.36 24.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.878 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.5 117.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.33 111.128 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.79 122.48 47.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.863 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -120.74 29.28 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 72.02 110.918 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -49.64 165.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.04 110.87 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.834 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.863 0.364 . . . . 74.41 111.128 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -174.96 -30.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.854 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -109.05 133.26 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.87 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.4 142.91 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.854 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.02 117.77 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.852 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.411 ' HG3' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -123.77 144.14 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 72.43 110.874 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.99 126.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 74.45 111.122 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -120.92 114.09 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.21 111.15 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.26 103.24 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 53.35 110.866 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.38 4.79 4.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 72.11 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.89 84.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 74.44 111.093 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.38 94.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.898 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 124.77 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -144.5 -39.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 61.41 112.493 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 pp -103.85 160.22 14.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.937 0.398 . . . . 72.12 110.921 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.0 p -46.72 105.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.142 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -54.86 -26.07 32.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.886 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.98 -23.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.4 111.118 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -49.23 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.53 110.874 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -47.46 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.885 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.4 110.808 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.55 -33.13 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.941 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.47 -51.77 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.91 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.66 -27.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 71.11 111.078 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.8 p90 38.05 42.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 74.01 110.901 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.94 -26.52 37.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 75.3 112.465 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.8 151.69 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 73.04 110.938 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tt 63.92 74.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.949 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -133.31 -80.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.867 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.27 -22.48 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 73.3 110.876 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -52.01 58.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.883 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -57.85 -25.36 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 70.24 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.81 60.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.41 110.945 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB1' HD21 ' A' ' 110' ' ' LEU . . . -111.06 -45.52 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 72.54 111.129 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.8 18.8 10.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 65.5 112.493 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.437 HD21 ' HB1' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -121.26 134.57 55.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 75.54 110.906 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.3 169.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.54 110.863 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -139.17 161.73 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.51 111.068 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.6 150.13 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.867 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -152.25 142.5 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.42 111.083 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.7 mtm -142.74 120.37 11.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.918 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 t -122.4 114.71 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 73.24 111.135 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.31 110.23 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.145 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -132.81 146.0 51.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 74.12 111.118 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.905 0.383 . . . . 75.0 111.08 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.41 50.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.78 -26.7 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.708 0.29 . . . . 71.45 111.13 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -30.68 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 72.32 111.114 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.72 97.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.92 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 m -65.03 -43.87 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.12 110.864 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -62.27 -35.24 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.939 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.32 -37.66 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 74.21 111.167 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.59 -37.31 80.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.01 110.899 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.21 -20.71 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 74.42 111.103 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.04 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 71.33 111.111 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.0 -39.27 85.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.928 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.89 164.32 61.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.712 0.768 . . . . 64.45 110.846 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 63.42 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 73.54 112.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -151.4 177.23 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 65.52 111.155 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -129.7 125.43 35.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.858 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -118.04 131.32 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.876 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -127.12 120.75 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 74.34 110.938 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.95 127.27 47.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.896 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.45 115.55 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.131 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.44 124.78 52.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.922 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.98 -33.89 8.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 75.02 110.873 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.43 -170.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 72.2 110.823 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.35 110.882 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 73.24 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -121.88 -12.94 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.868 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.442 ' CE2' ' HB3' ' A' ' 104' ' ' ASP . 7.7 m-85 -112.0 136.55 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -147.88 118.0 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.874 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.86 117.0 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.906 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -121.69 145.48 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.9 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.45 126.95 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 75.24 111.115 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.5 m -119.53 115.15 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 75.55 111.157 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 104.22 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.885 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.55 3.48 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.842 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.05 77.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.25 111.146 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 179.38 78.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 64.41 110.87 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 142.59 35.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 73.44 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.58 -36.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.757 . . . . 73.31 112.533 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -115.77 161.76 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 74.13 110.891 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.1 t -44.09 127.34 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.143 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.71 -25.94 68.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.914 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 m -57.21 -22.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 75.53 111.161 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -49.75 67.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -40.48 86.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.35 110.842 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -68.76 -33.32 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.895 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -74.11 -33.22 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 70.15 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.07 -51.41 61.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.976 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.3 pt -81.87 -20.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.137 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.8 p90 39.2 43.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.966 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.92 -37.6 18.6 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.73 . . . . 65.12 112.478 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.8 tp -69.79 166.17 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.43 110.948 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tp 65.18 80.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.909 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.54 -88.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.852 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.442 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 10.6 t70 -80.67 -19.31 45.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 71.1 110.902 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.13 -40.57 70.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.7 -36.76 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -61.36 -31.22 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 74.42 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.22 -46.28 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 73.42 111.123 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.41 -6.46 39.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 62.44 112.495 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.62 143.79 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 73.53 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.864 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -140.08 163.74 31.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.093 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.53 125.56 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.914 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -123.54 141.76 51.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.52 111.073 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.8 mtm -142.77 120.42 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.842 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.68 122.39 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.13 111.129 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.47 109.79 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 75.15 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.18 142.68 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.911 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 73.33 111.135 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.837 0.351 . . . . 63.3 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.62 -38.56 52.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 52.01 112.51 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.28 -26.35 66.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 75.52 111.088 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 4.8 tt -52.27 -32.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.128 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -66.41 -37.77 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.914 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 m -64.47 -47.99 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 3.1 ptmt -63.94 -33.74 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 72.03 110.91 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.1 t -59.11 -40.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 71.35 111.16 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -55.13 -36.01 65.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.3 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.63 -21.48 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 70.33 111.133 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.87 66.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.51 111.108 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -21.55 62.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.6 161.05 26.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.668 0.747 . . . . 73.32 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 98.15 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 73.34 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -175.67 -171.55 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 75.03 111.138 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -128.45 146.77 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 72.05 110.848 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -130.11 134.24 47.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 75.15 110.856 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -127.93 117.28 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.909 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tt -124.8 121.34 34.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 61.42 110.914 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.95 113.95 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 71.34 111.156 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.27 126.86 55.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 75.43 110.884 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -43.99 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.845 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.32 -168.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.15 110.852 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.843 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.856 0.36 . . . . 73.35 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.23 -16.85 9.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.846 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.419 ' CE1' ' HA ' ' A' ' 105' ' ' GLU . 13.9 m-85 -112.23 135.63 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.896 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.91 136.52 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 72.5 110.877 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -129.61 118.32 21.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -138.35 144.33 40.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.15 110.851 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.67 143.62 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.15 111.149 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -119.51 112.35 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 75.02 111.162 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.53 102.83 9.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.873 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 65.81 9.57 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.881 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.61 79.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.02 111.116 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.69 91.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.43 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -76.63 124.37 27.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.856 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -140.63 -30.07 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 72.32 112.524 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.38 160.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 75.32 110.911 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.9 p -49.75 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.125 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.52 -25.78 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.94 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.5 m -55.96 -25.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 65.41 111.11 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.36 -51.16 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.888 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -48.6 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.42 110.905 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -59.88 -33.25 71.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.82 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.43 -32.8 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.69 -50.15 73.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.908 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 pt -82.01 -33.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.14 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.0 p90 38.76 41.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.61 1.37 85.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 65.42 112.514 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.96 56.63 2.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 73.51 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.27 103.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.893 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.4 t 179.46 -77.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 63.03 110.887 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -78.8 -27.85 44.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 71.4 110.843 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.419 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -52.98 -39.95 63.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 72.54 110.84 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -27.99 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.871 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -65.93 -16.83 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.03 110.915 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.402 ' CB ' ' CD2' ' A' ' 110' ' ' LEU . . . -116.96 -42.23 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 70.53 111.119 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.92 19.28 9.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 60.23 112.46 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.402 ' CD2' ' CB ' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -107.69 139.29 42.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 75.43 110.96 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.65 154.9 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 75.01 111.087 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.4 151.14 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.931 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -132.24 126.75 34.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 62.2 111.135 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.4 mtm -142.24 116.95 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.92 129.79 50.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 75.51 111.151 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 109.78 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 74.43 111.159 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 140.59 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 73.54 110.95 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 75.33 111.087 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.789 0.328 . . . . 74.33 111.122 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.82 54.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 73.54 112.484 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.92 -25.69 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 73.05 111.106 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.77 -31.28 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 73.22 111.125 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -39.92 96.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.89 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -64.51 -45.23 88.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 75.31 110.905 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -64.15 -33.57 76.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.882 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.67 -38.16 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 72.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.15 -38.23 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.03 110.849 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.03 -19.4 54.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 45.22 111.105 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.58 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.14 111.104 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.32 -37.21 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 72.33 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -73.3 166.64 41.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 54.43 110.893 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.71 75.02 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 73.25 112.332 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -172.89 174.26 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.41 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -127.87 125.55 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 75.32 110.891 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -115.23 133.5 55.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.05 110.871 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 130.4 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.893 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -129.37 122.52 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.875 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 pp -125.32 117.07 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.12 111.15 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -109.15 122.64 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 54.32 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -33.74 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 71.43 110.902 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.9 -175.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 54.02 110.876 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.14 110.868 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 72.42 111.155 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -121.84 -23.66 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.851 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -112.18 135.24 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -138.78 146.08 40.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.861 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.25 114.79 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.94 149.22 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.41 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG11 ' HA ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -143.62 129.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.01 111.141 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -118.3 120.24 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.123 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.45 104.45 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.869 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.05 8.95 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 75.22 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.21 77.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 75.41 111.118 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 179.82 92.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 73.45 110.914 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 138.57 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.03 110.907 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.52 -76.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.725 . . . . 61.04 112.454 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.1 159.73 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 75.42 110.94 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -47.94 129.84 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 75.22 111.135 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.9 -25.29 61.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.55 110.957 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.3 m -56.68 -23.93 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 75.3 111.123 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -68.13 -49.42 61.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 54.34 110.876 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -47.23 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 75.31 110.844 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -34.14 76.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.896 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.87 -33.04 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.14 -52.86 63.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.932 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.3 pt -82.96 -22.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.43 111.12 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 38.54 45.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.31 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.45 -8.47 57.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.753 -0.736 . . . . 73.3 112.455 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.0 tp -82.67 55.43 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 72.3 110.912 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.0 tp 179.18 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.926 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.2 -75.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 64.31 110.866 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -67.57 -33.88 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 71.23 110.865 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -38.22 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 71.3 110.879 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.46 -26.72 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.42 110.865 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -80.04 -13.92 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.946 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.82 -41.63 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.089 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.09 -7.41 40.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 64.13 112.519 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.22 143.08 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 70.51 110.942 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.84 173.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 70.33 110.867 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.47 163.17 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.44 111.109 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 148.86 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.931 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -141.83 141.05 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.51 111.127 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.5 mtp -143.07 120.08 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.4 ' HA ' HG11 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -122.83 124.64 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.129 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.65 109.92 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.93 139.24 46.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 73.32 110.883 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 71.13 111.192 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.831 0.348 . . . . 72.21 111.077 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -47.05 -34.63 7.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 65.14 112.466 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.95 -30.92 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 74.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' A' ' 33' ' ' ALA . 19.0 tt -60.43 -32.17 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 71.22 111.144 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -37.2 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 73.45 110.901 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.2 t -64.85 -48.18 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.53 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 74.5 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -60.45 -37.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.12 111.108 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.56 -40.92 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.13 -22.14 66.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 75.34 111.105 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.46 -24.5 66.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 75.11 111.129 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.39 -23.59 64.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 71.31 110.861 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.63 161.35 25.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 64.42 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.28 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 70.01 112.337 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -175.72 -171.31 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 75.12 111.11 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -128.37 145.83 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.853 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -133.2 127.53 33.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.875 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -127.34 112.45 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 71.52 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.86 127.17 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.937 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.74 114.16 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 75.42 111.138 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -110.71 125.63 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 54.51 110.888 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.8 45.32 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.88 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.446 ' H ' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -44.37 136.57 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 71.32 110.903 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.873 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.82 0.343 . . . . 74.51 111.171 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -116.7 -17.16 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.881 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -111.51 135.05 52.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.883 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.66 141.0 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 64.25 110.835 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.83 119.58 18.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.907 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -144.12 146.3 32.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.881 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.0 141.85 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.44 111.083 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -119.23 113.64 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.52 111.124 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.06 104.18 11.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.808 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.68 8.7 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 73.23 110.868 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.99 80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.14 111.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -177.53 75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.908 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 130.74 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 73.53 110.902 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.36 -63.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 54.02 112.503 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.25 160.06 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 75.45 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.4 t -46.53 128.04 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 72.2 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -71.73 -32.23 67.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.883 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 m -56.99 -21.78 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.102 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -50.01 59.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.939 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.61 -47.65 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 74.54 110.896 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -59.59 -35.32 74.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 64.22 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -34.34 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 71.31 110.923 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.32 -49.62 76.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 62.35 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.8 pt -82.84 -27.11 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.0 48.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.945 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.67 -36.83 5.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 74.53 112.511 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.05 65.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 61.24 110.917 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 174.86 57.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.888 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.43 -75.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.83 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -62.36 -40.52 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 61.12 110.857 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -30.65 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.2 110.871 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.34 -43.54 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.44 110.841 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -59.24 -20.02 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.53 110.85 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.16 -49.48 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 74.45 111.087 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.37 19.14 10.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 71.23 112.514 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.55 139.39 51.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 64.2 110.909 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.15 176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.853 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.83 158.45 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.34 111.116 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.65 130.39 52.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -117.78 111.75 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 53.35 111.107 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.84 118.79 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.842 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.76 135.21 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.12 111.162 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 t -120.85 110.02 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.65 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.919 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 74.5 111.15 179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.825 0.345 . . . . 71.14 111.105 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.86 -37.0 51.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.703 -0.76 . . . . 53.45 112.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.68 -25.21 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.32 111.08 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tt -50.75 -31.8 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.24 111.111 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -40.04 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 65.45 110.91 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -64.76 -45.6 85.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.51 110.866 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -32.33 73.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 71.21 110.909 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.64 -42.22 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.13 111.106 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.66 -27.54 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 -20.71 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 62.31 111.096 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.48 -21.63 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.45 111.077 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.47 14.43 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.71 164.9 33.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.673 0.749 . . . . 71.43 110.867 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 77.46 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 72.44 112.361 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -176.42 176.64 1.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 65.32 111.156 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -129.15 125.49 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.21 110.868 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -114.79 119.42 36.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.94 118.62 37.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tt -125.62 121.14 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.914 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.3 114.44 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 74.45 111.127 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -115.35 124.38 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 63.21 110.851 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -65.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.866 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.32 132.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.882 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.876 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.776 0.322 . . . . 52.32 111.17 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 76' ' ' HIS . 2.0 p-80 -118.81 -16.95 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.892 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -111.31 138.3 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.884 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.49 132.3 18.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.1 110.873 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -121.11 115.45 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.13 110.91 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -123.88 128.51 49.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.32 128.63 75.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.1 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.3 m -119.03 120.38 37.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.135 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.82 103.68 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 71.41 110.883 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.07 6.63 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 72.12 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 46.35 78.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 65.24 111.108 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 175.88 84.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 74.32 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 138.13 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.881 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -148.54 -31.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.54 112.506 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.78 159.95 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 72.53 110.93 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.0 p -48.67 109.95 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.35 111.122 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.24 -25.33 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.05 110.926 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.9 m -55.92 -36.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 52.31 111.107 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -48.5 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.05 110.936 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -36.66 80.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.825 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.99 -36.44 83.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 70.1 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.57 -33.27 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 65.34 110.948 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.77 -50.84 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.6 pt -82.85 -26.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.5 111.114 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.01 46.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.09 -31.89 5.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 73.23 112.456 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.1 152.3 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 74.45 110.929 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.5 tt 68.6 93.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.952 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.7 -67.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.852 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.51 -37.1 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 64.11 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -53.39 -31.46 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.931 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -27.93 58.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 72.42 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -27.92 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.91 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.447 ' HB2' HD23 ' A' ' 110' ' ' LEU . . . -101.38 -31.42 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 71.13 111.12 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.62 18.21 12.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 43.24 112.491 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 108' ' ' ALA . 0.5 OUTLIER -119.59 139.57 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 73.13 110.885 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 74.03 110.884 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.56 149.94 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.24 111.116 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.2 130.94 53.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -133.79 145.22 49.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 71.31 111.106 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -142.84 120.49 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.84 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 p -113.91 121.66 44.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.42 111.131 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -121.96 108.84 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 55.14 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -130.96 149.37 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 74.22 110.88 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.611 0.72 . . . . 75.23 111.138 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 54.52 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.67 -39.26 54.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 75.32 112.509 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.51 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 73.13 111.083 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -30.61 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.03 111.17 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.97 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.907 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 m -65.61 -43.51 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.881 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 73.31 110.877 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.33 -39.02 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 73.43 111.131 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.7 -34.29 75.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.51 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.04 -19.92 46.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.43 111.16 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.59 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.098 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.82 -28.62 50.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 70.13 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.454 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -84.87 168.26 21.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 72.12 110.823 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 -4.92 15.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 71.24 112.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -79.5 177.78 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.141 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -129.7 134.4 47.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.843 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.44 126.18 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -122.71 123.83 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.881 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.74 126.55 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.24 110.935 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.7 114.36 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.31 111.143 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.402 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -110.31 125.32 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.907 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.24 -44.04 4.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 64.42 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t 51.05 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.0 t60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.51 110.896 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.806 0.336 . . . . 75.21 111.113 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -118.11 -9.76 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.51 110.846 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 5.7 m-85 -112.61 135.35 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.903 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.71 127.59 12.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.882 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -120.66 117.21 26.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.914 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.13 133.75 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 75.3 110.868 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.11 129.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.118 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -119.35 115.13 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 72.33 111.162 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 103.54 9.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.871 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 68.18 5.45 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 63.02 110.878 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.32 78.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 63.2 111.123 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -176.07 72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.887 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 143.16 28.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.853 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.03 -36.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 71.31 112.499 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 pp -101.99 160.6 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 75.11 110.93 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 p -45.08 110.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.169 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -53.34 -30.07 37.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.51 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.33 -20.5 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 73.12 111.159 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -49.03 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.54 110.933 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -40.5 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.872 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -69.22 -42.26 75.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.82 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.37 -32.73 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 75.44 110.874 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.81 -52.62 64.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.955 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.2 pt -84.02 -19.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.169 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.6 p90 38.23 58.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.94 -37.76 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 54.14 112.468 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.33 171.61 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 74.22 110.888 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 tp 61.06 92.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 65.53 110.951 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -75.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -73.79 -29.84 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 54.13 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -41.8 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.935 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -29.29 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.855 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -73.78 -16.68 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 64.24 110.871 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.14 -42.51 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 73.52 111.104 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.34 -3.72 33.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 64.54 112.48 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.76 141.49 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 73.44 110.87 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.888 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -148.3 162.8 38.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.14 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.58 132.59 54.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.04 110.9 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.55 139.69 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 74.53 111.061 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.93 119.66 19.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.905 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -124.84 121.13 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 72.33 111.131 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -120.79 109.74 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 62.32 111.156 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -139.9 140.58 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 75.3 110.902 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.53 0.681 . . . . 75.42 111.138 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.821 0.344 . . . . 60.25 111.087 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.52 -38.96 52.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 71.11 112.473 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.63 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 64.43 111.14 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.36 -31.27 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.102 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.11 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.909 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -63.69 -43.68 95.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.22 110.867 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.884 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.63 -36.07 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 53.31 111.147 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.71 -34.03 69.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.01 110.872 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.29 -18.69 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 63.22 111.132 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.36 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 55.2 111.119 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.21 -23.63 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.913 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.406 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -95.93 165.88 15.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.696 0.76 . . . . 74.13 110.889 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.79 76.49 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 64.44 112.35 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 t -155.48 177.38 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 71.53 111.154 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -129.15 124.93 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 63.4 110.866 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -120.41 127.35 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.87 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 115.82 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.902 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.65 132.64 56.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 73.53 110.924 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 pp -125.28 114.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.42 111.159 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.408 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -110.27 125.3 52.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.858 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.13 46.88 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.33 110.812 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -46.34 138.28 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 74.33 110.829 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 62.4 110.859 179.962 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.832 0.348 . . . . 74.22 111.156 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -122.81 -9.11 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.825 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 53' ' ' ASN . 7.1 m-85 -112.0 135.36 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 64.34 110.904 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -148.84 137.71 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 74.01 110.911 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.45 117.65 24.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.898 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.17 141.14 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.898 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.28 127.01 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.21 111.111 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.1 m -121.25 113.46 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 64.21 111.147 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -123.89 104.49 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 75.02 110.859 -179.861 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m-20 77.19 -32.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.12 110.87 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 83' ' ' SER . . . 70.71 58.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 70.14 111.098 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -160.36 70.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 73.35 110.901 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 117' ' ' THR . 0.1 OUTLIER -54.91 149.07 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.916 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.1 -36.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 75.53 112.526 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.51 162.08 17.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 75.35 110.855 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.5 t -39.42 129.55 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 65.22 111.127 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.01 -24.34 60.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.12 110.909 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.3 m -55.1 -23.32 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.14 111.13 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -49.12 53.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.913 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -46.97 73.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.855 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.32 -37.37 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.884 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.75 -31.77 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.91 -49.73 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.905 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' TYR . 29.5 pt -82.45 -32.59 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 73.22 111.087 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' ILE . 44.1 p90 38.24 45.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.909 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.89 -36.96 7.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 74.41 112.472 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.72 62.37 1.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 74.5 110.936 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.52 78.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.35 110.923 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -76.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 50.42 110.865 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -72.17 -32.79 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 72.42 110.856 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.01 -30.5 47.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 63.33 110.885 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -68.59 -37.68 80.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.859 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -59.45 -21.44 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.32 110.906 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.449 ' CB ' HD13 ' A' ' 110' ' ' LEU . . . -81.72 -53.38 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.35 111.101 179.831 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.66 6.76 28.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 54.12 112.508 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.478 ' H ' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -121.9 144.25 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 74.21 110.948 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -53.53 178.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.883 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.88 151.06 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.52 111.091 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.85 132.62 54.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 71.55 110.891 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.88 136.01 49.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.01 111.121 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.2 mtt -124.0 118.43 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 75.51 110.856 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.7 t -123.93 121.56 35.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 75.33 111.155 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.416 ' HA ' ' HG2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -121.85 110.24 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.13 111.152 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.67 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.928 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 75.52 111.131 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.821 0.343 . . . . 73.32 111.118 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -38.39 51.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 72.33 112.507 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.88 -25.5 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 71.35 111.128 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -29.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.152 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.85 99.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.914 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.826 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -62.8 -34.09 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 75.21 110.897 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.3 -41.97 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.112 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -58.82 -27.3 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.843 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.13 -20.38 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 74.53 111.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -29.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 74.4 111.058 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.3 -24.84 46.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.957 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.79 164.08 18.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 61.24 110.893 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 77.1 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 73.13 112.346 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -155.91 177.76 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.149 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -132.44 125.1 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.831 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -117.27 120.86 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.25 110.879 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -111.0 114.3 27.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 71.2 110.902 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.78 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.914 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.37 114.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.139 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -110.91 126.01 54.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 64.55 110.881 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -65.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.878 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.68 160.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.825 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.2 110.849 179.955 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.458 ' HA ' HD22 ' A' ' 110' ' ' LEU . 1.2 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 64.31 111.127 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.58 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.873 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -108.02 134.13 51.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.43 110.871 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -151.21 136.89 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.875 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -123.35 116.06 22.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.888 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.49 150.56 40.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 73.03 110.877 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.1 124.81 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 75.03 111.162 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -119.66 114.88 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.42 111.145 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.12 104.22 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.882 -179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.85 6.26 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 75.15 110.839 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.61 80.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 63.2 111.097 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.79 91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.844 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -78.75 148.63 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.874 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.74 -30.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 55.45 112.465 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 pp -93.48 161.26 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 74.21 110.927 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -42.06 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 73.43 111.095 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -68.58 -34.86 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.954 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.7 m -59.96 -29.94 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.04 111.102 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -44.04 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.911 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -47.66 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 72.13 110.844 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -59.86 -37.47 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.85 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -73.06 -38.38 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.9 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.93 -50.67 60.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.895 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.3 pt -77.97 -34.86 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 65.53 111.132 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 t80 46.05 49.26 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.925 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.9 -13.84 33.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 62.3 112.467 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.58 160.2 31.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 74.34 110.872 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.5 tp 65.15 100.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.44 110.916 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.77 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.1 110.824 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.4 -39.79 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 64.33 110.891 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.57 -43.39 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.879 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -58.45 -31.82 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.885 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -27.84 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.93 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.5 -25.14 13.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.13 111.111 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.02 4.14 90.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 53.24 112.493 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.525 ' CD2' ' C ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -76.3 147.54 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 72.14 110.898 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -73.41 132.03 42.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.881 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.51 162.81 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.091 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.36 151.19 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 74.44 110.943 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.67 140.98 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 70.22 111.071 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.5 mtp -143.11 119.5 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 73.24 110.852 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.5 t -128.33 113.45 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 63.51 111.143 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.33 109.85 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 74.04 111.137 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -133.64 141.89 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.924 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.574 0.702 . . . . 64.45 111.149 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.2 mtp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.794 0.33 . . . . 72.41 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.81 177.6 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 72.12 110.924 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.48 131.94 3.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 74.31 112.492 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.19 132.79 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 72.02 110.832 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.35 158.34 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.88 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -169.34 167.91 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.818 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -175.87 147.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 73.04 110.829 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.34 135.31 2.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 71.14 110.855 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -167.72 101.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 75.22 110.846 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.67 119.23 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.857 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.82 -161.9 9.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 62.51 112.462 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.74 -179.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 64.21 110.87 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.94 128.08 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 75.23 110.853 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 p -129.89 144.32 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.129 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.64 134.58 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 70.42 111.065 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 p -115.42 162.29 17.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.866 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 p -114.28 175.42 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 54.03 110.87 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.8 pp -121.02 147.75 24.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.45 111.147 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.45 124.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.45 111.078 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.87 165.13 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.876 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -117.05 178.4 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.85 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.93 112.01 4.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 70.31 112.468 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.8 m -56.51 104.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 75.12 110.818 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.2 mmt -131.76 167.42 19.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 73.25 110.893 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.45 58.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 71.5 111.148 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -168.71 102.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 65.33 110.901 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -125.66 28.8 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.847 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.2 tm0? -142.73 156.98 45.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 72.25 110.906 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.97 82.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.921 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.9 72.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 33.31 112.499 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 138.86 38.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 65.21 112.311 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 mm -89.66 -70.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 72.03 111.112 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.455 ' O ' HG12 ' A' ' 36' ' ' ILE . . . 178.15 -83.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 73.21 111.103 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.67 83.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 63.13 112.471 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.43 87.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 74.2 111.113 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -50.5 -31.15 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 73.35 111.127 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.52 99.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.847 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.24 -43.7 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 63.31 110.873 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 mtmm -62.04 -40.64 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 74.1 110.938 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.0 t -55.07 -42.68 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.11 111.098 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -56.71 -27.16 58.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.859 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.62 -17.81 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.083 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.87 44.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 72.42 111.115 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.02 -20.49 39.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 55.52 110.921 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.59 164.41 15.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.68 0.752 . . . . 73.03 110.861 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.69 21.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 74.53 112.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -60.95 175.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 75.45 111.142 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -129.36 145.99 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.884 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -132.02 121.3 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 72.25 110.881 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 70.5 110.906 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' HB2' HD21 ' A' ' 79' ' ' LEU . 5.2 tt -126.42 123.46 37.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.909 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.63 117.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.04 111.138 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -111.94 122.24 47.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.76 -44.03 5.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.929 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.68 155.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.85 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -136.91 100.23 4.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 75.41 110.854 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.53 -74.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.32 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -159.17 159.77 34.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 72.43 110.861 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.47 -169.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 72.25 111.12 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.0 -114.55 0.33 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 71.1 112.521 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -165.75 28.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 71.24 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -166.18 75.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 75.04 110.967 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -178.23 -75.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 65.41 111.083 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.25 -68.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.903 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.6 t0 55.38 54.03 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.879 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.25 61.48 6.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 71.15 112.488 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.21 136.54 52.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 63.01 110.847 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.2 t -130.8 25.13 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 72.3 111.141 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.55 99.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.088 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.8 t -147.8 -72.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.853 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.66 99.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 70.1 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.78 81.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 62.23 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.09 -25.48 1.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 74.23 112.516 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -77.64 -55.63 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.924 0.392 . . . . 71.33 110.908 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p 64.31 131.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.23 111.137 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.93 -14.44 8.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 74.12 110.83 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -114.39 135.18 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 73.32 110.852 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -147.67 142.88 27.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 75.45 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD21 ' HB2' ' A' ' 51' ' ' LEU . 3.0 tm? -128.86 118.55 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 75.43 110.921 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -126.9 154.72 44.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.892 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -144.54 133.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 70.51 111.099 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -119.97 114.7 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 74.31 111.154 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.21 103.88 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 74.23 110.838 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.0 6.32 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.914 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.1 79.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.54 111.139 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.7 83.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 138.48 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.891 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.63 -54.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 71.52 112.48 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.477 ' CD2' ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -73.94 161.35 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 74.25 110.959 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.1 p -46.37 100.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.15 111.132 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -52.62 -31.73 38.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.928 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.2 m -57.39 -20.88 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 73.35 111.119 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -49.26 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 74.2 110.882 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -60.78 -47.46 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.922 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -60.7 -44.55 96.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 65.22 110.88 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.11 -32.47 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.936 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.72 -50.54 73.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.872 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 99' ' ' TYR . 28.5 pt -83.66 -22.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.118 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ILE . 24.3 p90 37.56 55.26 1.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.961 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.78 -37.72 3.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 60.3 112.472 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.69 158.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 72.34 110.913 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp 65.52 37.03 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 74.53 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.2 p -116.46 -79.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 61.53 110.847 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.34 -25.31 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 54.12 110.86 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -35.71 75.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.851 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.3 -34.47 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.35 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.91 -24.98 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.99 23.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 73.13 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.33 -5.23 38.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 70.11 112.478 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.81 144.99 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 72.53 110.931 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -49.17 168.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.851 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -137.59 161.99 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.13 111.11 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.25 137.59 53.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.927 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -137.8 143.47 41.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.113 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.7 mtt -142.86 119.81 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.835 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.6 t -118.48 124.18 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 71.03 111.122 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -120.52 117.33 27.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 63.12 111.145 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.87 147.98 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.2 p -62.15 159.13 40.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 73.13 111.114 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.86 13.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 75.12 112.32 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.66 -18.26 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.081 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.36 112.58 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 71.24 110.892 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 75.32 110.938 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.802 0.334 . . . . 74.4 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.72 -173.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.872 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.69 -178.89 32.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 52.41 112.461 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -138.59 -171.49 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 74.54 110.88 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -152.25 172.97 15.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 73.04 110.865 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -172.83 156.11 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -150.33 179.57 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.861 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.6 165.53 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 62.25 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -158.78 122.0 3.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.85 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -134.41 177.26 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.86 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.52 142.24 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 73.13 112.517 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.76 153.77 4.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 75.45 110.842 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -175.86 116.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 75.15 110.853 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.18 157.3 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.45 111.112 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 tt -162.98 140.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.11 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.51 133.55 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 34.42 110.849 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 p -172.01 96.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.865 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.03 143.18 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 73.54 111.128 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -178.22 162.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 74.13 111.065 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -175.71 126.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.848 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -174.17 170.51 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 75.4 110.894 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.02 117.62 1.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 73.51 112.497 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.21 151.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 73.54 110.816 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -142.91 -72.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 61.31 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.06 101.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.106 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.34 177.83 7.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.03 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -164.86 -71.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.892 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -131.74 127.11 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 63.42 110.911 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -136.25 101.81 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 75.22 110.904 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.71 68.71 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.1 112.504 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 137.7 36.24 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 74.13 112.36 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 pt -120.2 -32.38 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 73.22 111.156 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.3 149.08 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 62.51 111.11 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.01 -40.63 66.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 43.14 112.557 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.28 -26.62 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 72.12 111.087 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 3.1 tt -51.97 -32.0 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.097 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -66.84 -37.2 84.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 74.2 110.872 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 m -65.08 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 63.15 110.813 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 2.8 ptmt -63.73 -33.67 76.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 71.02 110.946 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.8 t -59.48 -42.22 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.124 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -26.69 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.877 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.26 -21.6 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 71.42 111.172 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.17 -23.47 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 55.34 111.121 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.46 -19.74 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 63.11 110.906 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.66 157.9 36.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.656 0.741 . . . . 73.24 110.868 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 77.74 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 71.01 112.369 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.5 t -152.86 -171.39 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 74.23 111.162 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -128.39 146.28 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 75.01 110.833 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -133.92 133.41 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.872 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.56 115.63 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.29 120.32 29.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 65.51 110.927 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.24 116.91 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.43 111.098 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.83 122.74 47.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.859 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.95 -45.5 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 63.21 110.866 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.86 -169.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 71.41 110.9 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -132.44 135.83 46.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.851 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -120.6 -72.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 70.35 110.965 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.5 157.82 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.44 110.872 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 57.42 -176.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 71.31 111.093 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.85 -22.46 33.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.471 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -146.42 40.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 74.42 110.903 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -77.23 92.28 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.917 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.19 -56.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 72.42 111.085 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? 52.71 76.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.846 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -176.64 53.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 64.24 110.891 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.76 72.1 1.28 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.732 . . . . 73.14 112.475 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 p -104.36 27.15 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 60.53 110.881 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.5 m 72.55 -68.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 74.54 111.097 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.28 98.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 72.45 111.095 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 t -143.75 -54.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 63.33 110.85 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 52.89 47.62 24.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 64.44 110.863 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.15 -42.35 4.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.35 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -112.54 37.29 3.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 63.15 112.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -132.9 -66.46 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.971 0.415 . . . . 70.4 110.887 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p 61.52 162.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 74.41 111.135 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -124.92 -29.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.858 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -112.42 138.0 49.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 74.2 110.924 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -147.15 141.93 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 73.32 110.898 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -131.33 123.7 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 73.35 110.877 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.85 140.52 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 71.05 110.842 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.58 139.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 73.12 111.144 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -120.09 114.48 22.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.141 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.93 105.56 14.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.852 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.38 6.9 5.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 62.02 110.846 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.92 77.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 60.42 111.073 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.54 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.861 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.59 141.06 55.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.82 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.6 -40.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 72.13 112.491 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.96 160.61 14.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 74.03 110.901 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.0 t -43.61 124.81 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.32 111.191 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -71.92 -27.35 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.919 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.0 m -60.53 -18.14 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 75.02 111.131 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -50.26 65.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.893 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -47.96 66.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.883 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -59.08 -34.97 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.855 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.36 -34.51 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.938 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.0 mt -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.905 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.7 pt -81.84 -31.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 70.53 111.149 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.0 p90 38.82 41.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 65.11 110.926 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -83.81 -32.16 24.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 75.22 112.508 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.23 161.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 72.42 110.874 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.1 tp 63.85 91.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 73.5 110.891 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.43 -74.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.812 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -72.29 -40.86 67.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.53 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.48 -31.51 46.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 73.2 110.852 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -39.97 92.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.53 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -59.6 -20.38 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.936 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.88 -38.9 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 74.42 111.118 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.14 11.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 65.23 112.514 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -114.51 140.08 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 72.53 110.925 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.884 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.44 161.0 38.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 73.12 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.76 150.88 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.912 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -136.65 128.26 28.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.52 111.146 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.8 mtt -142.36 118.92 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.897 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 7.5 p -121.25 126.35 49.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 72.11 111.167 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.62 109.62 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.23 111.138 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 146.18 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.859 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.49 133.44 44.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 75.3 111.127 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.52 14.3 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 74.04 112.327 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.27 14.2 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 71.31 111.108 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.67 125.24 50.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 71.14 110.892 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.951 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.783 0.325 . . . . 71.03 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 60.06 -177.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 75.3 110.896 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.23 126.0 2.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 71.41 112.464 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.27 162.32 35.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 63.12 110.867 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -173.98 165.45 4.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 73.21 110.85 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -164.51 154.88 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.33 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.74 173.55 11.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 64.45 110.84 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.21 166.62 30.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.841 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -128.85 157.55 41.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 72.12 110.859 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -173.11 -170.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.32 110.863 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.06 -173.82 40.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 71.23 112.519 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.66 -174.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 72.03 110.878 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.89 -173.92 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.838 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.1 p -163.52 138.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 74.21 111.165 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.9 mt -96.14 111.41 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 75.05 111.095 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -99.28 133.41 43.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 75.41 110.831 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -105.44 -179.54 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.855 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 tt -165.9 142.23 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 75.13 111.119 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -166.1 143.79 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 63.32 111.096 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.1 153.89 48.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 64.31 110.848 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -144.49 176.49 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.85 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.42 104.86 1.07 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 73.5 112.508 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 p -147.06 176.18 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 45.44 110.868 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 63.29 161.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 74.41 110.861 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -178.18 86.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 73.24 111.089 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.21 153.92 46.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.851 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -153.93 179.93 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 73.41 110.851 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -140.46 162.86 34.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.43 110.911 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mt -129.75 173.73 10.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 74.13 110.965 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.41 70.41 1.01 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 74.23 112.518 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 177.13 5.93 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 73.4 112.294 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.0 mt -135.27 -70.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 75.33 111.11 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -125.73 170.33 11.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.31 111.096 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.61 -37.72 50.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 75.15 112.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.21 -25.84 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 71.23 111.099 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 0.6 OUTLIER -51.45 -31.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 73.02 111.087 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -37.73 86.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 75.52 110.9 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.5 m -64.87 -48.1 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.902 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.4 t -60.66 -42.33 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.23 111.119 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.0 -33.83 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.877 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.72 -19.92 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 62.31 111.093 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.52 -29.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.26 -20.18 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 73.25 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.0 164.46 15.48 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.679 0.752 . . . . 75.14 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -14.4 35.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 75.02 112.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -59.23 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 65.44 111.109 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -128.7 139.97 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.2 110.888 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -123.32 133.16 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 63.44 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.6 114.99 18.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 72.32 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tt -126.67 120.12 28.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 65.04 110.909 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -126.77 116.11 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 63.12 111.151 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.76 122.02 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 65.42 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 -33.71 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.857 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.2 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 72.54 110.843 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -121.62 93.52 4.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.869 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -74.02 -62.32 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.921 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.83 160.45 43.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.903 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.33 -32.02 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.04 111.054 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.12 -158.32 27.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 65.2 112.52 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -126.65 35.92 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 74.25 110.881 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -131.88 100.49 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 74.42 110.937 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.71 97.3 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 75.34 111.151 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -43.63 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.866 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.6 t70 64.28 23.93 13.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 71.14 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.9 83.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 55.35 112.536 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.79 146.15 39.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 73.13 110.831 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.0 t -93.9 -32.57 13.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 73.42 111.141 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 56.76 -170.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 61.35 111.091 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 t -160.6 -67.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 74.4 110.833 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 57.97 46.11 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.41 110.843 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.68 -24.63 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.063 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.54 24.87 3.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 65.34 112.486 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -98.05 -74.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 74.21 110.912 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p 63.96 144.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.14 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -122.09 -23.88 5.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.811 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -112.91 140.68 47.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 74.22 110.891 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -147.71 140.18 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 73.25 110.855 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -128.72 118.36 22.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 71.21 110.933 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -133.33 138.85 46.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.2 110.912 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.34 135.25 63.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.093 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.3 m -118.61 114.26 22.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 65.23 111.159 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.61 107.83 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.894 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.75 4.08 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.862 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.83 81.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -176.73 57.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 63.22 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 145.39 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.51 110.857 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.57 -90.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 53.54 112.501 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.43 160.29 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 74.42 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 p 58.11 33.29 23.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.147 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -72.27 -34.4 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 74.32 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.25 -24.26 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 63.2 111.147 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.23 110.914 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -48.97 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.22 110.883 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.8 -38.11 86.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 75.23 110.888 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.21 -38.04 63.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.92 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.7 mt -51.77 -50.53 60.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.921 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.0 pt -77.94 -40.58 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 71.31 111.107 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.7 t80 44.58 58.5 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.885 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.56 -35.22 4.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 72.4 112.499 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 35.4 tp -50.69 158.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 65.04 110.931 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.38 87.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.924 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.35 -77.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 74.25 110.84 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.6 -32.84 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.34 110.85 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.81 -31.27 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 62.22 110.875 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -63.09 -42.17 99.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -61.95 -18.28 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.83 -38.62 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 73.25 111.079 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.21 -7.06 40.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 72.11 112.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.35 143.09 48.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 73.1 110.906 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.99 177.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.831 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -130.94 161.06 32.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.11 111.049 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -122.51 128.94 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.35 110.921 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.0 140.14 45.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 64.43 111.117 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.11 120.5 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.32 110.887 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.2 t -107.57 129.18 55.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 71.42 111.143 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.96 107.63 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 64.42 111.17 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.4 144.36 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.852 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -46.0 160.17 0.3 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 72.23 111.157 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 176.38 6.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 74.32 112.376 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.58 -18.2 19.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 63.02 111.093 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.71 95.53 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 74.15 110.884 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 74.22 110.928 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.749 0.309 . . . . 74.11 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -85.75 160.97 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.88 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.42 -110.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 55.25 112.539 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 62.35 173.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 72.33 110.848 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -175.82 131.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.02 110.888 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 130.0 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 70.32 110.863 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -123.5 138.03 54.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.849 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.18 152.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -157.93 -68.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 75.45 110.819 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 m170 58.56 -175.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 74.31 110.832 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.05 -113.0 3.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 74.43 112.484 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 p 59.48 -175.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 74.53 110.868 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.79 170.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 74.01 110.861 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -139.81 149.3 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 64.13 111.088 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -134.27 141.14 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.03 111.132 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -95.33 156.39 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.856 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.46 162.59 31.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 53.32 110.877 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.1 pt -103.13 173.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 73.32 111.16 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.13 172.81 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 70.43 111.077 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -131.68 -58.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.898 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.18 161.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.855 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.72 105.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 62.33 112.511 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 t -155.91 128.6 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 71.2 110.879 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 ttt -170.81 100.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 71.45 110.855 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.74 178.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 65.12 111.107 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -116.59 138.56 51.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.869 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.62 -177.54 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.42 110.87 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -157.01 161.86 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.912 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 tp -175.1 136.65 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 75.32 110.923 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.23 67.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.796 -0.716 . . . . 75.51 112.513 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 143.85 52.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 60.15 112.328 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 78.7 mt -127.22 -65.85 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.5 111.135 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.68 170.94 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 75.13 111.15 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -39.68 96.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 70.3 112.495 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.23 65.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 75.11 111.138 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -50.95 -30.69 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 73.24 111.125 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.877 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -65.03 -48.05 75.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 63.12 110.89 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HG2' ' O ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -63.31 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.24 110.913 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.8 t -61.65 -40.45 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 72.4 111.096 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.13 -32.72 66.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.842 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.28 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 62.12 111.102 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.61 -22.08 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 72.45 111.055 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.53 -19.97 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.12 164.41 14.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 64.34 110.866 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -5.97 17.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.696 2.264 . . . . 72.34 112.353 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -57.75 -175.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 71.35 111.169 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -128.53 129.2 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.873 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -122.39 127.4 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.21 110.847 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.88 114.79 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.901 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 tt -126.79 120.38 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.33 110.877 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.08 114.06 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 75.05 111.123 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.92 123.12 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 72.15 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -37.74 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.25 110.818 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.8 t 50.69 -168.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.875 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -139.13 106.18 5.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 72.41 110.883 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -128.2 -66.8 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.896 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -108.83 160.75 15.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.54 110.854 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.97 71.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 74.25 111.082 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.52 35.63 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 64.54 112.508 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.4 t60 61.59 29.03 18.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 74.54 110.902 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 62.84 170.39 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 73.21 110.9 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.01 98.24 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 73.34 111.109 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.02 -26.03 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 72.44 110.862 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -167.25 48.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.861 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.36 -32.22 6.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 72.02 112.504 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 t 58.85 73.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 72.32 110.889 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -51.44 -32.51 27.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 75.31 111.2 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 62.91 -170.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 71.1 111.118 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.43 -57.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 64.24 110.837 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.55 -169.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 71.4 110.877 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.12 71.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 65.34 111.061 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.72 -24.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 43.34 112.511 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -102.97 -43.1 5.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 73.23 110.876 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 62.79 153.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.142 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -129.34 -32.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 73.04 110.866 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -112.87 134.02 54.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 75.12 110.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -149.61 143.24 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 73.43 110.878 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -130.54 118.08 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.911 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.01 141.45 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.825 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.25 126.15 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 72.33 111.167 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -119.83 114.06 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.23 111.121 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.68 7.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.84 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.19 77.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 72.32 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 177.77 86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 70.1 110.862 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.56 143.56 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.873 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.67 -42.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 70.31 112.483 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.23 161.41 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 74.31 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.9 t -41.51 127.28 3.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 72.31 111.135 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -71.75 -24.64 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.901 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.0 m -55.86 -26.88 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.0 111.117 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -69.18 -50.76 44.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.54 110.857 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -47.95 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 74.11 110.852 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.91 -36.63 77.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 74.14 110.87 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -73.59 -37.31 65.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.933 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.7 mt -52.56 -51.71 58.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.914 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.1 pt -79.22 -40.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 65.55 111.137 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 t80 41.5 59.05 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.44 -37.14 3.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 60.15 112.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 162.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 74.42 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.81 99.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 70.35 110.904 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.85 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 65.14 110.858 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.19 -40.58 30.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 74.4 110.893 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.883 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.27 -48.09 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 71.12 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -59.17 -19.7 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.41 ' CB ' ' CD2' ' A' ' 110' ' ' LEU . . . -89.21 -58.22 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.074 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.82 19.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 75.44 112.503 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.41 ' CD2' ' CB ' ' A' ' 108' ' ' ALA . 0.6 OUTLIER -112.28 140.53 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 75.01 110.918 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.9 166.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.834 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -141.07 162.69 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 43.54 111.101 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.24 149.62 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 75.52 110.944 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.21 118.57 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.3 111.07 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.3 mtp -142.31 118.94 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.882 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.3 t -128.53 116.25 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 75.2 111.149 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 t -121.31 108.3 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 75.52 111.136 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -124.29 149.95 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.6 132.59 22.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.575 0.703 . . . . 74.41 111.144 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -177.56 1.93 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.722 2.282 . . . . 64.11 112.33 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.48 -18.29 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.01 111.095 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.02 119.67 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.851 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 74.54 110.871 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.762 0.315 . . . . 74.53 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -143.78 167.71 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.858 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.6 126.82 0.84 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 64.42 112.518 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.3 m -137.59 124.96 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 73.5 110.873 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -110.29 135.08 51.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 72.31 110.868 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -148.7 155.87 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.864 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -170.62 97.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 71.34 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -114.2 142.19 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 73.23 110.849 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -110.23 168.99 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -176.69 169.23 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 63.13 110.868 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.11 136.65 2.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 73.31 112.511 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.67 142.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 71.01 110.826 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -110.91 161.9 15.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 63.3 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -151.02 176.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.21 111.136 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 tp -171.45 140.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 71.33 111.17 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 p -147.07 175.9 10.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.876 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.91 -177.55 6.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 52.22 110.866 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 tt -175.52 138.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 74.31 111.186 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.74 178.9 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.55 111.119 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.91 141.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.32 110.848 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -121.9 167.69 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.859 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.63 -151.88 11.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 64.14 112.469 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -179.11 157.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 75.1 110.875 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.6 ttm -172.76 117.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 72.53 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.09 161.98 40.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 73.23 111.082 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -144.03 -67.9 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.862 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 58.72 71.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.835 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.91 103.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.946 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.0 113.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.44 110.906 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.22 67.39 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 73.12 112.518 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 127.09 14.07 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 75.42 112.331 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.1 tt -117.4 -27.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.52 111.147 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -137.23 151.7 49.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.54 111.114 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.46 -39.0 52.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.13 112.486 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.45 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.309 . . . . 54.21 111.095 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -32.85 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 73.13 111.131 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -42.01 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.877 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -64.74 -43.56 92.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 75.3 110.836 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -33.94 75.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.868 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.17 -42.24 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.102 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -55.17 -30.91 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.92 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.37 -23.88 27.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 63.14 111.06 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.92 -34.29 77.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 70.42 111.075 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -18.22 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.877 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.36 161.8 21.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.686 0.755 . . . . 73.44 110.857 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 95.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 75.23 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -176.21 -167.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 74.54 111.091 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 143.77 51.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.53 110.841 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -133.43 128.63 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -127.52 113.21 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.933 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.06 119.42 25.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.92 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.33 115.61 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 74.1 111.092 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -110.76 123.43 50.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.932 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.74 38.81 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -46.55 152.92 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.855 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -148.99 161.43 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.844 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -86.98 -74.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.02 110.909 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -157.7 162.67 38.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.879 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.14 -58.47 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 73.45 111.103 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.45 -169.17 42.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 71.41 112.507 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -116.21 55.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 75.52 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.52 54.97 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.21 110.935 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -178.07 -74.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.31 111.09 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.71 61.37 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.84 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -177.21 77.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 75.32 110.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.37 114.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 52.53 112.479 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.8 p -109.41 128.15 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 75.41 110.861 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.5 t -105.79 -25.36 12.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 74.13 111.154 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.81 -175.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 72.2 111.072 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.8 t -169.16 49.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 71.03 110.882 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.08 73.52 10.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 70.44 110.824 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.08 -36.91 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 75.21 111.063 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -136.04 33.52 2.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 62.04 112.493 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -102.95 -67.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 72.24 110.906 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 p 51.52 -170.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 75.31 111.128 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 23.5 p80 -175.76 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 75.25 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -106.59 133.77 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.905 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -148.82 143.88 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.879 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -131.78 118.76 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 75.13 110.928 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 142.69 49.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 62.22 110.912 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.4 m -128.96 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.34 111.188 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 20.8 m -120.51 113.51 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.115 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.22 107.74 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 75.55 110.843 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.86 6.47 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.4 110.876 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.71 82.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 75.51 111.1 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 179.86 80.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.837 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 130.84 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.54 110.876 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.98 -62.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 75.05 112.471 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.53 160.19 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 64.42 110.902 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 t -45.87 127.74 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 73.22 111.16 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -71.81 -32.95 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.933 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 m -56.99 -22.18 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.33 111.115 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.87 -49.05 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 72.12 110.888 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.2 -48.6 67.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 73.21 110.876 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -30.04 70.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.795 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.94 -45.28 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 63.14 110.924 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.3 mt -52.83 -50.21 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 60.5 110.937 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 25.4 pt -82.22 -25.07 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 71.0 111.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.6 p90 37.93 43.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 64.31 110.941 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.41 -24.67 62.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 64.51 112.528 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.2 mp -58.1 155.71 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 73.12 110.894 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.57 105.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 65.42 110.861 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.42 -74.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 61.12 110.852 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -77.32 -41.66 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 71.44 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.1 -30.58 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 71.35 110.917 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -62.97 -27.95 69.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 74.52 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -79.5 -19.52 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 75.33 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.404 ' HB1' HD22 ' A' ' 110' ' ' LEU . . . -94.73 -45.19 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.03 111.079 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.7 18.56 11.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 71.3 112.482 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.404 HD22 ' HB1' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -121.32 137.09 54.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 75.34 110.937 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.18 179.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.1 110.918 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -147.56 161.19 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 63.45 111.123 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.57 146.91 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.9 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -141.58 143.5 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 75.52 111.123 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 8.7 mtm -142.47 120.11 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.04 110.924 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 10.7 p -116.03 125.48 52.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.41 111.124 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 t -120.22 109.81 15.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 73.53 111.098 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.82 144.92 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.899 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.18 159.32 6.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 65.14 111.17 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -173.18 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.664 2.242 . . . . 71.25 112.382 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.33 -18.18 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 63.24 111.127 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -99.76 121.19 40.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 74.03 110.869 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 74.24 110.922 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.792 0.33 . . . . 71.41 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.51 169.44 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.864 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.61 168.68 31.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.679 -0.772 . . . . 63.02 112.454 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.82 163.12 11.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 72.33 110.865 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -171.78 151.24 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.9 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -127.7 165.94 19.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 63.43 110.844 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.82 174.66 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.809 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.51 163.28 33.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 71.35 110.855 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -178.84 167.98 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 74.12 110.869 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -165.82 173.28 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.868 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 154.87 152.24 6.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 51.24 112.525 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.97 149.8 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 74.35 110.847 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.47 158.71 6.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 75.1 110.851 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -148.93 154.17 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.149 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -170.57 145.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 72.53 111.122 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.23 112.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.889 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.06 119.78 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 74.14 110.831 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -134.26 148.62 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 72.12 111.125 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -166.63 112.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 72.32 111.108 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -154.81 123.11 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.863 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 -166.64 143.24 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 74.24 110.85 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.99 160.42 18.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 64.24 112.492 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.5 p -177.92 137.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 74.13 110.823 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.1 136.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 75.42 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -178.21 136.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 35.53 111.116 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -165.72 176.41 8.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.916 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.34 -170.08 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.909 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -162.33 158.54 24.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 75.01 110.921 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -179.11 156.75 0.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 72.4 110.919 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.76 166.07 26.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 71.43 112.479 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 163.54 37.89 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.65 2.233 . . . . 74.41 112.301 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.5 mt -143.08 -69.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 74.54 111.13 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.97 168.08 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.34 111.099 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -37.63 50.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 61.24 112.492 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.27 -26.51 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 73.35 111.112 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.81 -31.55 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 73.11 111.147 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -62.97 -40.69 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.54 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -64.88 -45.28 86.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.14 110.848 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.22 -33.69 76.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.936 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.22 -38.56 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.35 111.085 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -26.93 68.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.39 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 65.41 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.76 -26.33 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 74.54 111.116 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.65 -26.94 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 65.01 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.42 160.48 26.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.693 0.758 . . . . 72.32 110.848 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.652 2.235 . . . . 73.54 112.336 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -175.9 -171.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.142 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -128.1 143.19 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.872 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -132.39 129.16 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.904 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 111.76 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 75.13 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 tt -129.08 116.52 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 72.13 110.916 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.15 114.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.136 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -114.07 100.69 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 53.3 110.92 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -36.03 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.874 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.36 159.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.839 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -119.26 105.78 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 74.44 110.854 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -63.55 179.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 73.55 110.876 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -121.65 170.1 10.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.868 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -174.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 73.44 111.076 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.4 -98.15 0.97 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 74.3 112.451 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -138.55 50.95 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 74.14 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -136.91 -72.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 51.96 -169.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 75.04 111.112 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 62.66 92.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.848 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -157.65 -43.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 72.31 110.895 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.53 103.11 0.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 73.41 112.428 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.67 152.47 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.964 0.411 . . . . 75.41 110.858 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -113.13 -27.06 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 63.54 111.116 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.74 99.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.132 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -165.58 51.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 72.05 110.91 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.42 107.46 15.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 75.52 110.867 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.29 25.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 74.54 111.127 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -142.26 19.27 2.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.727 . . . . 73.45 112.498 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -126.15 -56.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 54.21 110.86 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p 64.79 129.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.54 111.118 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.24 -14.46 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.899 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -112.55 136.13 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.21 110.845 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -146.69 143.02 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.3 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.91 118.38 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.939 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.56 143.41 41.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.905 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.19 137.7 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 73.34 111.103 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 m -120.18 113.48 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.169 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.11 104.6 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.859 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.73 7.0 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 73.41 110.846 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.34 84.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 75.51 111.105 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.6 86.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.35 110.863 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 136.16 45.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 73.03 110.919 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -159.85 -40.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.801 -0.714 . . . . 74.15 112.499 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 pp -94.7 159.97 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 73.41 110.911 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.4 p -48.28 106.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.25 111.154 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -53.26 -28.76 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.0 m -58.22 -22.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 72.3 111.115 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -49.65 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.859 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.2 tpt180 -66.16 -47.89 72.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.13 110.822 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -34.08 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.828 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -73.58 -33.44 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 61.45 110.927 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.71 -51.67 67.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.3 pt -83.01 -26.58 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 74.35 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.3 p90 38.5 46.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.49 -37.25 53.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 63.42 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.02 174.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 75.53 110.923 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 62.46 84.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.909 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.97 -75.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.875 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.15 -34.23 49.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.89 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -38.19 66.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.889 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -59.17 -32.35 69.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -74.1 -19.49 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.04 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.81 -46.09 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 74.3 111.094 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.15 -6.98 40.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 74.2 112.447 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.87 143.09 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 75.34 110.92 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 174.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.844 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -134.78 162.77 31.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.53 111.062 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 138.1 54.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.12 110.905 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.24 137.23 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 74.44 111.16 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.2 mtm -142.35 119.81 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 74.45 110.915 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.7 p -115.92 125.17 52.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 72.43 111.145 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.7 t -120.33 109.84 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.141 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -139.83 140.51 36.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 73.13 110.863 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.06 137.44 97.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.581 0.705 . . . . 64.22 111.14 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.55 5.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 75.43 112.356 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.79 14.19 22.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.115 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.78 119.13 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 72.3 110.916 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 71.54 110.97 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.72 0.295 . . . . 72.04 110.891 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.15 131.15 38.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.873 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.16 -66.04 1.6 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 74.34 112.471 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.64 45.61 10.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 75.22 110.864 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -79.19 179.4 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.861 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -140.11 134.59 31.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 65.42 110.857 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -103.91 171.54 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 74.04 110.844 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -173.37 177.27 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.5 110.843 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -116.22 134.6 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 74.21 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.17 169.63 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.87 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.52 175.43 22.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 73.54 112.441 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.76 127.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 63.34 110.875 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.58 111.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 71.15 110.832 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.8 m -133.44 131.48 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 73.54 111.147 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 pt -140.41 152.36 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.05 111.079 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 t -159.56 136.81 9.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 70.12 110.824 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.78 118.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 75.15 110.905 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.9 pt -151.5 164.01 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 75.4 111.144 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -177.67 125.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 64.43 111.124 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.38 140.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 71.54 110.864 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -176.68 143.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 75.52 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.96 105.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 71.11 112.485 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.82 142.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 64.12 110.841 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.02 101.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 65.14 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.4 110.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 61.12 111.149 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -158.6 -178.29 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 74.42 110.905 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 57.43 -179.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.875 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.04 126.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.929 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.87 178.88 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.932 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.48 66.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 61.32 112.506 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 178.64 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 65.21 112.331 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -96.96 -66.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 74.02 111.154 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -178.34 -64.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.41 111.125 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -31.51 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.8 -0.714 . . . . 55.01 112.469 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.58 97.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 74.54 111.119 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 33' ' ' ALA . 0.6 OUTLIER -51.51 -31.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 75.42 111.136 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -62.18 -44.07 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 71.12 110.913 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -41.28 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.88 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -43.35 98.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.12 110.931 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.0 t -56.43 -42.03 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.52 111.112 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -56.19 -27.56 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.05 110.883 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.53 -28.5 14.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 72.31 111.101 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.3 -23.21 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 74.02 111.1 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.91 -17.33 50.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.944 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.79 162.5 23.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 73.45 110.841 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 96.14 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 62.25 112.321 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.8 t -170.77 -171.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 70.24 111.133 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -128.12 146.44 50.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.852 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -136.55 119.75 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 74.43 110.889 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -115.12 114.85 25.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.22 110.894 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 tt -125.38 122.14 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 72.4 110.905 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.36 116.59 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.33 111.118 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -107.15 123.5 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.873 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.43 28.04 8.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.888 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -47.14 161.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 61.24 110.84 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -158.94 138.17 11.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 71.41 110.891 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -63.33 172.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 73.45 110.923 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -105.4 136.1 45.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 75.03 110.87 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.7 -65.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.34 111.129 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.26 -37.99 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 65.44 112.491 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.8 t60 62.97 26.31 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 73.41 110.828 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 57.66 -173.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.88 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 60.66 171.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 75.31 111.117 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 72.29 -68.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.884 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 t70 65.04 23.33 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.838 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -175.23 69.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 74.44 112.471 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t -179.47 161.01 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.396 . . . . 73.42 110.872 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 t -126.77 -41.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 71.5 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.46 -169.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 71.53 111.065 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -170.28 -57.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.865 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.27 -169.73 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 62.24 110.831 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.83 106.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 75.11 111.137 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.12 -21.6 44.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 73.23 112.448 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -95.23 -56.56 2.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.391 . . . . 70.13 110.864 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p 51.3 -168.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 74.04 111.128 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -173.8 -29.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.14 110.831 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -107.93 137.71 45.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 61.12 110.84 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -147.88 142.61 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.895 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -129.78 123.39 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 63.24 110.941 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -142.26 134.73 27.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.9 m -120.36 140.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 73.44 111.151 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.9 m -119.82 114.46 22.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.52 111.114 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.39 104.9 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 61.25 110.86 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.08 7.37 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.847 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.0 79.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 178.8 89.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -70.78 132.49 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 75.1 110.92 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.03 -39.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 71.24 112.475 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.88 159.71 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.371 . . . . 70.34 110.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.1 p -48.15 108.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.4 111.144 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -54.08 -29.64 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 74.1 110.892 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.2 m -59.63 -19.14 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.44 111.128 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -49.91 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.928 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -66.79 -47.67 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.872 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.69 -34.97 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.51 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -73.79 -33.21 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 74.55 110.921 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.21 -52.01 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.883 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 99' ' ' TYR . 32.1 pt -83.76 -23.91 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 74.51 111.121 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ILE . 30.3 p90 37.16 50.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 65.13 110.945 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.95 -37.28 8.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 71.44 112.483 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.17 160.29 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.348 . . . . 73.32 110.945 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.68 23.46 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 m -100.89 -82.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.887 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.89 -23.06 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 64.34 110.818 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.89 -47.48 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.905 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -25.69 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 71.33 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -32.56 73.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 63.52 110.849 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.406 ' CB ' HD13 ' A' ' 110' ' ' LEU . . . -74.83 -43.45 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.092 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.83 3.18 30.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 54.45 112.498 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.486 ' H ' HD21 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -121.88 142.93 49.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 72.55 110.907 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 179.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.33 162.57 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 64.44 111.093 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.86 151.29 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.968 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -143.78 139.02 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 51.43 111.07 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 2.7 mtp -143.0 118.97 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.819 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.9 p -113.68 128.24 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 74.43 111.128 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.8 t -121.29 109.75 15.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 75.31 111.171 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -137.33 141.88 41.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.904 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 133.41 62.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 74.53 111.161 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 147.93 63.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 75.34 112.37 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.01 -18.22 14.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 72.43 111.122 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -93.79 123.45 37.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 71.45 110.893 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.921 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.785 0.326 . . . . 54.42 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -88.46 112.68 23.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 73.42 110.906 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.13 127.52 5.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 72.12 112.533 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.29 133.54 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 71.21 110.883 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -176.68 126.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 72.23 110.832 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -179.03 174.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.847 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -179.16 126.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 71.03 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -174.1 153.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.897 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -174.61 152.11 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 71.54 110.915 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -179.16 160.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.899 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.92 157.81 7.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.745 . . . . 73.4 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.21 174.98 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 72.32 110.828 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -164.55 179.01 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 73.42 110.912 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -151.45 163.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 74.55 111.167 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.3 tp -175.34 145.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 73.3 111.162 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.5 p -122.6 -173.53 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 64.15 110.857 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.98 -170.29 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.832 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -134.05 -50.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 73.33 111.141 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.56 179.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.111 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.7 p -174.4 133.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 71.3 110.869 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -147.97 -176.35 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.66 148.74 4.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 73.23 112.454 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.38 -74.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 74.52 110.844 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.17 -176.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 63.42 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.45 -170.6 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 75.12 111.112 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -131.89 -177.17 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 73.05 110.869 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -169.92 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 74.15 110.844 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.48 86.56 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 63.14 110.913 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.29 151.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 74.14 110.932 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.5 76.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.747 . . . . 72.11 112.464 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 78.94 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 71.13 112.338 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -172.79 151.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 71.12 111.106 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 66.59 120.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.082 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.34 -40.18 97.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.759 . . . . 72.1 112.517 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.32 -27.27 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 74.22 111.074 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.71 -33.12 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 73.23 111.111 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 74.1 110.918 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 m -62.5 -47.88 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 75.15 110.894 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HZ1' ' N ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -66.76 -30.18 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 74.33 110.891 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 38.6 t -58.96 -38.46 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.53 111.142 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.05 -27.2 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 75.23 110.873 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.26 -19.57 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.061 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.48 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 72.35 111.084 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 mt -60.77 -18.28 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 73.54 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.17 160.7 42.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.658 0.742 . . . . 63.15 110.819 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 106.37 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.692 2.261 . . . . 73.11 112.367 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -174.21 -177.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 65.41 111.131 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -128.25 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.4 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.444 ' HB2' ' HD3' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.83 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' N ' ' HZ1' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -132.52 124.59 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.86 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tt -126.39 118.4 24.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.42 110.883 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 77' ' ' PHE . 1.9 pp -127.12 117.95 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 75.31 111.137 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.31 123.16 49.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.838 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -52.74 10.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 64.14 110.89 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.26 -168.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.901 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.29 120.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.864 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -53.31 155.55 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.1 110.873 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -125.29 165.74 17.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.867 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -178.19 -176.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 74.53 111.119 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -128.69 -111.49 1.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 62.33 112.509 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 70.63 -69.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 63.32 110.854 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -154.75 88.73 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.41 110.857 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.25 110.87 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.116 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -172.84 92.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.914 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -154.48 26.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.0 77.9 0.13 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 62.52 112.523 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.0 t -98.62 86.2 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 75.23 110.84 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -77.43 -25.9 51.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 73.33 111.175 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 60.28 171.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.095 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 t -137.1 -74.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.01 110.841 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.32 -169.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.891 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.7 22.99 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.25 111.104 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.73 -28.41 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 63.05 112.531 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -81.48 -48.91 11.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.382 . . . . 75.32 110.901 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p 56.61 177.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.14 111.184 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.69 -38.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.852 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -111.08 144.06 40.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.865 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -141.21 138.05 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 75.22 110.885 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.82 118.33 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.34 140.28 53.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 73.13 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.58 125.46 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 62.01 111.114 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.1 m -120.24 114.75 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 74.13 111.159 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.91 104.93 13.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 61.34 110.909 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.59 7.16 5.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.59 80.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 70.12 111.086 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.79 92.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 61.2 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 124.26 24.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.64 -64.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 75.34 112.474 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.35 159.14 30.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 73.01 110.9 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.2 p -50.5 110.6 0.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.157 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -55.77 -25.9 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.892 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 33.9 m -56.73 -28.1 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.02 111.154 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -49.93 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 75.03 110.881 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.97 -46.65 77.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 74.41 110.89 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -62.53 -32.85 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 65.35 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.86 -32.54 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.35 110.915 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.04 -52.59 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 71.13 110.9 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.4 pt -82.34 -32.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 73.14 111.099 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.5 p90 39.49 41.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.893 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.63 -33.01 63.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.732 . . . . 72.21 112.485 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.41 152.78 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 75.4 110.87 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.3 tp 67.57 91.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.05 110.907 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -172.08 -72.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 74.15 110.857 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.49 -40.76 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 73.12 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.02 -30.55 36.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 74.4 110.872 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 75.21 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -59.35 -22.33 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.898 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.8 -39.66 8.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 73.53 111.083 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.86 19.5 10.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.32 112.517 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.51 140.67 49.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 74.54 110.919 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -170.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.894 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.07 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.15 111.146 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.1 pp -122.42 149.96 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 73.45 110.927 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -138.29 132.14 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.41 111.08 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.52 120.87 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.888 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.7 t -126.81 124.97 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.156 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -120.71 110.1 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 75.51 111.185 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -126.7 143.46 51.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.861 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.75 159.27 1.82 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 63.52 111.146 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 136.23 32.43 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.646 2.231 . . . . 74.55 112.356 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.76 -18.13 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.41 111.071 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -100.46 131.28 46.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 63.44 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 75.14 110.93 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.806 0.336 . . . . 72.55 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.28 146.34 41.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.61 -131.65 1.45 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 75.03 112.48 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m 60.37 92.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 72.34 110.863 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.79 172.7 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 75.21 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.2 163.18 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.52 110.822 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.29 -173.18 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.838 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -171.92 142.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 71.04 110.884 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -101.37 124.48 47.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 65.24 110.85 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -107.5 114.15 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 75.34 110.862 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.86 176.71 8.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 72.13 112.469 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -166.76 121.43 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 65.42 110.819 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -91.56 161.19 15.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 72.55 110.803 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -119.35 138.41 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.41 111.154 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 tp -115.84 141.13 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.183 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -98.11 -174.56 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 75.12 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.3 p -159.99 159.43 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.867 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.6 tp -127.18 133.03 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 75.45 111.11 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.71 166.41 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.35 111.102 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.14 174.5 10.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 62.24 110.879 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -151.78 166.81 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 75.53 110.901 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.3 78.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 73.12 112.514 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.39 101.82 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 74.42 110.901 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 157.16 15.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 73.3 110.904 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.96 124.05 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 52.42 111.032 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -122.49 -178.66 3.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -114.23 31.16 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.886 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -65.27 -30.67 71.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 71.23 110.915 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.67 164.6 12.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.69 -71.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 75.14 112.526 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.64 45.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.264 . . . . 72.32 112.372 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -103.22 -66.83 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 75.41 111.094 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.451 ' O ' HG13 ' A' ' 36' ' ' ILE . . . -179.31 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 72.13 111.111 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.14 83.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 75.11 112.452 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.39 -43.04 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 74.22 111.126 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 37' ' ' LYS . 1.0 OUTLIER -52.85 -27.24 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.35 111.147 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.4 mmpm? -62.94 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.903 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 m -66.68 -40.79 88.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.862 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 71.51 110.878 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.1 t -57.25 -39.99 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.43 111.13 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -26.21 61.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.88 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.14 -21.7 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 62.44 111.13 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.35 -22.74 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.07 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.38 -20.85 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 70.33 110.931 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.59 160.68 33.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 72.53 110.864 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 71.22 112.349 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -175.88 -179.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.5 111.163 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -128.5 124.93 37.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.52 110.888 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -114.57 126.44 54.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.5 110.9 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -123.51 113.93 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.0 tt -126.24 125.89 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 72.21 110.895 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.09 111.29 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 73.42 111.141 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -114.11 124.09 51.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.04 110.881 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -89.07 -15.51 33.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 75.4 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.46 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.887 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -175.07 86.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.839 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.94 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.911 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -150.28 162.16 41.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.86 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.38 109.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 64.14 111.1 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.85 55.41 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 64.42 112.496 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -107.45 -25.39 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 75.31 110.872 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.79 -170.06 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.55 110.949 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.73 -72.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 74.44 111.121 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.97 158.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 74.44 110.849 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -156.66 32.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 70.21 110.851 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.69 49.12 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 73.54 112.479 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 p -112.35 150.52 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 64.43 110.914 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.7 t -116.34 -21.37 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.122 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.95 164.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 73.44 111.092 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.75 -57.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.33 110.879 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 63.49 -172.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.26 15.86 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 71.44 111.088 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -142.82 15.75 2.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 65.03 112.505 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -149.95 -51.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.962 0.411 . . . . 75.21 110.926 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p 62.86 155.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 72.32 111.116 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -123.38 -30.83 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.874 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.57 134.66 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.906 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -137.94 142.82 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.868 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.19 118.53 29.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.44 110.921 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.42 121.14 31.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.57 126.44 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.15 111.149 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -118.84 117.92 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 52.33 111.123 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.78 104.56 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 71.42 110.842 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 69.08 6.1 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 73.24 110.857 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.28 81.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.34 111.109 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.81 88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 72.5 110.888 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 137.67 39.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.44 110.934 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -160.21 -38.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 62.13 112.432 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 pp -91.41 160.24 15.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.929 0.395 . . . . 71.54 110.89 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 31.7 p -47.48 109.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 64.25 111.159 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.31 -26.08 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 75.24 110.907 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.1 m -60.96 -25.31 35.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.11 111.132 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -67.96 -49.33 62.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.52 110.898 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -46.97 77.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.3 110.872 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -62.24 -33.44 74.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 72.31 110.902 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.31 -33.14 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.05 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.24 -53.08 61.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 65.14 110.898 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 99' ' ' TYR . 36.9 pt -82.84 -26.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 75.41 111.135 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ILE . 36.4 p90 38.43 42.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.23 110.908 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.5 -21.49 69.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 53.11 112.489 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.66 161.7 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 72.23 110.884 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 51.32 46.34 26.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.901 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.5 p -112.75 -80.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.877 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -79.66 -23.15 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 64.44 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -39.29 61.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.862 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.66 -44.52 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.55 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -59.44 -19.86 50.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.04 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -96.63 -54.48 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.151 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.0 18.24 10.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 63.22 112.464 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.43 140.77 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.348 . . . . 74.31 110.928 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.54 176.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.91 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.8 161.69 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.52 111.073 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.74 151.63 41.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 70.31 110.924 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.45 136.57 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 64.43 111.116 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.1 mtp -142.85 118.3 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.13 110.887 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.8 t -127.55 121.84 31.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 73.42 111.159 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.65 109.57 15.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.3 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.6 tmmm? -134.44 140.49 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.902 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.38 159.33 1.63 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 75.03 111.152 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 174.46 9.49 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 74.04 112.328 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.33 14.31 27.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.076 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -122.41 119.79 32.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.848 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.935 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.801 0.334 . . . . 73.32 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -121.61 125.63 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.854 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.51 134.56 3.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 74.01 112.495 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.0 p -162.49 131.9 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 74.52 110.867 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -168.72 136.95 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -153.32 141.8 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 75.45 110.86 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.1 119.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 64.52 110.885 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.71 152.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 75.34 110.858 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -158.34 147.0 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 74.51 110.853 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -166.51 179.52 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.837 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.21 161.91 20.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 72.25 112.46 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.92 173.79 9.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 73.54 110.871 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.89 -178.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 73.11 110.91 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.6 t 62.51 103.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.15 111.107 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 tt -168.85 147.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.11 111.154 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.3 m -163.34 170.94 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 62.2 110.887 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.3 119.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.852 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.4 mm -137.7 137.41 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 74.31 111.127 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -178.16 152.11 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.32 111.141 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -174.25 140.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.845 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -144.7 -176.37 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 73.21 110.866 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.38 172.76 43.03 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.756 -0.735 . . . . 72.14 112.487 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.15 172.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 72.53 110.834 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.93 164.58 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 70.4 110.866 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -177.8 157.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.33 111.076 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -169.03 172.15 7.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.87 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -174.12 169.68 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.923 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -88.16 -175.02 4.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.61 -176.8 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 71.34 110.918 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.63 72.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 64.3 112.499 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 158.41 57.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.27 . . . . 72.53 112.33 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.2 mt -140.75 -57.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 74.31 111.145 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -142.71 -174.74 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 73.31 111.072 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -38.64 95.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 70.23 112.465 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -25.08 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 75.22 111.102 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -30.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.04 111.116 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -41.14 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 72.03 110.897 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -65.05 -45.36 85.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 65.24 110.878 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -62.96 -33.16 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 73.52 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.41 -40.08 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 75.54 111.125 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.16 -37.36 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.821 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.45 -19.46 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.54 111.088 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 74.32 111.094 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.11 -20.31 57.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 71.11 110.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.425 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -96.84 166.83 13.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 74.41 110.867 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.79 -7.66 21.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.647 2.231 . . . . 71.5 112.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.7 t -71.37 176.14 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 71.23 111.145 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -128.62 124.69 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 74.55 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -115.46 118.09 32.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -105.3 117.8 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 74.45 110.885 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.45 121.52 35.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 74.42 110.899 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -126.35 114.72 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 74.13 111.157 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.34 124.39 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 70.44 110.916 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.8 -78.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.856 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 t 66.74 -178.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.53 110.853 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -108.97 150.4 27.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.879 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -114.9 -169.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.51 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -99.68 127.05 45.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 63.41 110.85 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.11 171.46 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.24 111.085 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -143.14 78.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 74.13 112.506 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -141.6 12.84 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 72.42 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 65.06 13.95 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.51 110.964 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 50.97 -169.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 70.0 111.08 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -86.37 -74.45 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.836 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -179.1 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 54.4 110.863 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.78 110.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.723 . . . . 64.5 112.521 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.1 p -108.29 109.08 20.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 63.33 110.865 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.7 m -51.67 -49.93 61.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.181 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.8 -169.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 73.43 111.093 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -177.26 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.12 110.912 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 61.84 49.09 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.849 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.23 -25.2 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -155.38 46.63 0.52 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 71.24 112.479 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -115.94 -43.44 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 65.31 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p 51.07 -168.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 65.41 111.096 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -33.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 75.4 110.867 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.59 133.9 52.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.868 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -148.79 119.72 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 70.15 110.869 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -120.16 117.55 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.893 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 129.27 51.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.862 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.84 127.26 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 63.22 111.146 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -121.2 118.03 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 72.42 111.161 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.29 104.41 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.857 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 67.64 7.27 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.899 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.83 84.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.32 111.107 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.98 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.13 110.85 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -74.09 140.59 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 75.2 110.937 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.07 -33.89 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 75.41 112.477 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.75 160.71 14.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 73.41 110.941 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -41.66 108.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.41 111.138 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -72.4 -33.73 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.889 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.2 m -56.91 -23.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 74.14 111.166 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -67.44 -49.17 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.937 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 75.42 110.919 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.74 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -67.98 -39.32 83.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.14 110.922 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.9 mt -51.81 -52.23 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.889 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.9 pt -79.88 -33.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.137 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.5 t80 44.0 56.56 4.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.95 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.74 -37.49 3.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 63.14 112.48 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.2 160.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.366 . . . . 75.45 110.921 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 64.58 86.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.31 110.939 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.07 -74.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 71.12 110.869 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.76 -22.76 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 74.03 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -52.94 -28.34 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.88 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -33.76 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.924 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -81.01 -34.65 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 74.44 110.913 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.08 -53.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.14 111.088 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.18 17.25 11.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.751 . . . . 71.44 112.487 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.56 139.54 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 75.44 110.939 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -174.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.837 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.52 157.4 42.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.44 111.048 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.64 146.75 47.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.05 110.904 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -133.32 137.85 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.21 111.14 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 7.9 mtm -142.34 119.08 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.3 p -123.34 118.95 28.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 74.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.5 108.8 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 72.44 111.152 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -132.21 141.76 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.906 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 31.4 p -52.37 154.49 4.3 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.548 0.689 . . . . 75.43 111.142 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 174.41 9.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.62 2.213 . . . . 73.42 112.384 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.44 -18.29 32.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 73.24 111.08 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.69 100.48 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.857 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.91 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 mtt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.736 0.303 . . . . 75.33 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.64 130.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 74.4 110.881 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.66 161.7 26.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 71.14 112.446 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.1 p -165.63 -179.31 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.962 0.411 . . . . 73.02 110.832 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -163.82 162.1 23.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 73.31 110.855 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -177.05 162.23 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 63.51 110.881 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -168.04 140.24 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 65.21 110.899 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -131.16 -179.44 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.34 110.831 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -161.27 126.93 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 64.54 110.893 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -174.24 148.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 73.41 110.862 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.62 141.51 3.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 62.2 112.496 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.02 138.33 37.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 73.53 110.832 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -139.86 100.66 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.31 110.835 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.5 m -94.65 -177.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 73.1 111.148 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 pt -152.07 166.94 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.35 111.131 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.66 178.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 74.12 110.899 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.69 145.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 73.42 110.871 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.7 tt -171.14 147.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 73.42 111.135 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.24 173.8 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.101 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.6 p -169.2 163.32 10.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 75.31 110.874 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.4 mtm-85 -149.09 172.41 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 73.15 110.873 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.7 135.32 3.23 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.735 . . . . 72.32 112.493 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.11 151.71 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 74.45 110.865 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -172.54 134.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 75.31 110.878 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -163.44 145.9 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 61.03 111.107 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -168.79 130.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -149.64 137.45 20.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 70.55 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.15 106.69 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.914 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.72 136.98 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.909 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.95 70.72 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 64.55 112.497 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.99 13.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.738 2.292 . . . . 64.31 112.308 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.6 tt -116.18 -22.92 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 65.41 111.076 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -145.33 153.32 41.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 65.32 111.086 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.93 51.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 60.32 112.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.05 -26.53 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 73.02 111.095 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -30.26 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.2 111.16 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -40.47 96.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.92 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 m -65.09 -45.15 86.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.846 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -63.92 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.862 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.19 -41.75 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.24 111.164 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -26.7 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.87 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.62 -20.88 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.51 111.138 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.25 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 75.21 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.16 -39.5 86.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.43 110.948 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.15 164.55 51.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 64.2 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 77.13 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.745 2.297 . . . . 72.13 112.372 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -163.65 173.59 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.155 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -128.93 125.03 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.834 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -116.41 119.53 35.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.01 110.885 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.18 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 73.3 110.932 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 tt -126.48 121.67 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 73.12 110.931 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -126.57 115.88 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.1 111.126 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.99 128.32 55.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.24 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.75 -52.93 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.6 160.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.86 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -124.85 91.7 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 74.13 110.907 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -67.53 -170.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.45 110.924 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -109.04 142.22 40.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 73.3 110.865 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.99 -170.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 54.52 111.114 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.13 40.58 2.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 71.12 112.496 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 62.56 38.14 12.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 73.12 110.853 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.24 157.85 23.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.5 110.933 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.18 175.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 72.12 111.087 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -175.11 86.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.874 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.96 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 63.15 110.866 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -155.7 121.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 70.4 112.497 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.4 p -115.31 -177.45 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.029 0.442 . . . . 65.22 110.798 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -125.9 40.22 3.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.486 . . . . 72.42 111.136 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.77 94.81 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 60.44 111.092 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 t -179.62 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 73.53 110.824 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.57 -169.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.859 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.38 104.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.43 111.107 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.24 -26.33 24.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.768 . . . . 62.31 112.451 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -86.74 -53.31 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.934 0.397 . . . . 74.24 110.869 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.469 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.1 p 60.29 177.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.101 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.51 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 74.03 110.818 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' A' ' 52' ' ' ILE . 44.8 t80 -108.54 136.35 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 75.52 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -147.75 138.98 23.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 64.02 110.846 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -121.74 116.16 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.903 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -122.83 149.93 43.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 74.43 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.05 126.44 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.32 111.121 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -119.8 118.11 29.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 63.43 111.181 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.83 108.27 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.866 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.42 6.32 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 73.3 110.865 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.56 76.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 64.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 179.72 90.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.1 110.917 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.25 139.89 56.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.02 -73.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 75.21 112.498 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.77 159.18 31.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 75.2 110.915 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -48.21 128.95 14.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 72.11 111.141 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.87 -25.51 61.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 72.41 110.92 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.8 m -57.09 -28.79 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.13 111.143 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -50.09 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 71.1 110.852 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -62.51 -47.21 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.33 110.821 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -39.89 89.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.822 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.66 -41.39 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.03 110.923 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.9 mt -51.3 -51.41 54.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 72.51 110.938 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.4 pt -79.38 -35.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.098 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 t80 43.83 54.13 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.947 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.87 -15.33 29.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 73.52 112.464 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.79 59.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 73.01 110.9 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.74 92.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.885 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.83 -76.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 70.21 110.871 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -77.8 -40.18 41.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 74.15 110.85 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.69 -43.61 90.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 65.53 110.861 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -60.04 -35.01 74.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.35 110.877 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.41 -24.46 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -104.44 -26.56 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.21 111.051 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.47 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 55.31 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.529 ' CD2' ' C ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -76.34 147.02 38.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 74.03 110.947 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.07 131.17 41.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.64 163.13 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 73.43 111.09 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.63 151.13 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 64.33 110.971 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -138.4 133.42 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.23 111.088 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.06 120.1 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.864 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 p -123.71 123.4 40.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.098 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -121.2 109.89 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.101 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -133.71 140.85 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.94 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.14 158.97 8.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 64.45 111.15 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 143.61 51.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 73.43 112.373 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.95 -18.09 15.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 71.34 111.096 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -132.69 121.43 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 72.04 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.21 110.928 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.709 0.29 . . . . 75.45 110.801 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -72.31 144.8 48.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.882 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.95 173.21 13.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 64.33 112.474 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.38 -60.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 73.54 110.849 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 59.01 74.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.812 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -115.01 149.31 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.857 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -161.25 151.21 17.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.861 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -145.9 160.46 41.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 75.3 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 170.44 16.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.833 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -152.11 176.27 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.896 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.15 -155.53 8.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 51.52 112.436 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.36 173.44 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 75.45 110.835 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.81 147.74 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 73.3 110.873 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.8 p -119.1 143.0 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.23 111.142 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -115.49 130.34 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.23 111.162 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.37 -62.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 71.35 110.893 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.4 p -129.39 123.15 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 72.12 110.844 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.0 pt -104.99 32.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.31 111.176 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.19 139.62 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.31 111.108 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -170.98 -73.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 73.3 110.892 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -169.66 -53.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 74.41 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.88 117.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 72.14 112.509 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.79 175.16 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 63.3 110.846 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -119.83 175.24 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 73.35 110.873 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.22 168.18 15.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 71.44 111.11 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -120.95 143.79 48.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -136.02 106.03 6.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 75.54 110.901 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.87 111.96 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 62.33 110.92 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -171.54 121.41 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.942 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.75 71.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 72.03 112.5 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 130.97 20.2 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.672 2.248 . . . . 63.44 112.33 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 pt -129.59 -38.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.3 111.093 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.66 154.31 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.083 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.51 52.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 74.2 112.537 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.86 -27.71 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 71.13 111.127 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.31 -33.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.43 111.179 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 72.42 110.898 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -64.37 -39.77 94.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.892 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HE2' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.53 -43.13 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.13 110.876 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.65 -38.58 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 75.33 111.153 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.26 -35.89 70.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.5 -16.87 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 63.23 111.134 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.32 -24.04 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 62.35 111.137 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -18.58 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.42 164.63 19.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 73.11 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -6.97 19.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 65.12 112.354 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -66.89 -177.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.149 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -128.69 140.8 51.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.839 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.6 p90 -126.86 130.33 49.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.52 110.869 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -127.02 113.94 17.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.905 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tp -126.97 126.6 43.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.919 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.47 113.59 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.34 111.138 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.65 125.63 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 73.22 110.884 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.37 -37.09 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 70.23 110.835 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.1 -168.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.834 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -146.07 98.4 3.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 74.4 110.864 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -79.87 -71.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.23 110.922 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -137.1 164.76 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 75.12 110.85 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.93 -42.82 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 60.22 111.143 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.34 -129.26 5.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 54.1 112.494 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -118.51 65.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 74.21 110.85 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -136.86 92.09 2.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.51 110.92 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.73 107.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.42 111.103 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -89.13 -55.11 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 74.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t0 63.7 25.35 14.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.43 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.86 78.48 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 62.1 112.455 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -109.48 132.55 54.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.423 . . . . 71.05 110.85 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -111.72 -23.22 10.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 70.32 111.133 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.9 -177.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 50.33 111.083 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -160.7 -56.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.895 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.27 -169.7 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 74.1 110.916 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.71 73.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.23 111.113 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.84 -29.11 0.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 64.31 112.472 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -96.62 -52.9 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 74.41 110.864 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p 64.62 132.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.44 111.162 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -117.4 -15.15 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 72.03 110.862 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.86 135.42 53.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 71.31 110.893 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.73 133.77 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 74.55 110.869 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 39' ' ' LYS . 1.4 tt -123.84 125.97 45.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.31 110.904 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -141.08 124.23 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 65.44 110.914 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.99 134.88 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 71.33 111.108 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.5 m -120.03 113.64 20.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 71.25 111.15 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.14 105.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 62.05 110.837 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.36 6.0 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 71.12 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.59 79.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.5 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.51 83.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 75.03 110.857 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 126.89 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 74.23 110.948 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.98 -70.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 73.43 112.49 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.39 161.24 28.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 74.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.7 t -41.5 126.21 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 75.4 111.105 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -72.2 -32.45 66.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 73.05 110.919 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 m -57.98 -21.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.33 111.128 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.2 -49.8 63.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.858 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -61.56 -48.1 82.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.865 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -25.32 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.827 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -75.43 -33.16 60.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.886 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.7 mt -69.63 -50.3 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.853 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.4 pt -83.63 -21.74 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 72.21 111.142 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.3 p90 38.25 58.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.943 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.75 -37.22 4.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 72.21 112.498 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.2 tp -50.68 145.9 6.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 73.2 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.14 129.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 71.45 110.953 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.66 -86.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 62.53 110.851 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -80.6 -20.44 43.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.67 -30.3 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 75.24 110.89 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -40.82 74.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.869 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -62.2 -22.66 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -95.12 -43.56 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 72.2 111.118 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.6 19.36 11.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 62.42 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -113.06 138.23 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 74.35 110.903 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.37 -167.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.862 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.83 162.0 29.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 64.52 111.097 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.44 136.99 54.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 72.3 110.9 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -120.79 129.81 53.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.042 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.24 119.71 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.846 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -126.36 122.47 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 65.33 111.121 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -121.37 109.39 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 72.23 111.164 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.72 143.06 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.905 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -54.67 159.48 3.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 63.23 111.169 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -172.11 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 73.31 112.362 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -98.34 14.2 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 71.31 111.141 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 134.4 49.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.875 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 73.42 110.874 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 73.1 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.35 171.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.906 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.04 155.07 26.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 71.52 112.501 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.36 164.82 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 75.21 110.822 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -173.42 -177.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 74.43 110.886 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.22 98.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 72.52 110.856 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -153.62 130.93 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 73.44 110.882 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -168.89 138.55 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.838 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -172.87 133.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.873 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.3 164.71 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.828 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.05 161.75 25.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 71.1 112.443 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -168.87 128.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 65.22 110.845 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.414 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 2.8 t60 -126.26 -51.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 73.13 110.843 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 13' ' ' HIS . 12.1 m 43.57 -164.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.108 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.0 tt -173.71 140.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 73.24 111.109 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.76 122.02 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 74.44 110.871 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.8 p -167.08 87.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 75.54 110.824 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.3 mm -88.39 138.01 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.53 111.101 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -170.42 154.26 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.43 111.083 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 m -141.99 -66.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.83 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.26 178.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 73.52 110.871 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.68 105.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 53.41 112.507 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.11 167.9 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 75.33 110.88 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.07 163.03 9.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 72.41 110.849 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.45 -179.82 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.22 111.063 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -113.01 -178.71 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 54.42 110.887 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -114.14 -26.01 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.889 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -51.98 138.29 25.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.904 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 tp -148.52 -177.41 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 73.12 110.931 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.47 72.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 71.43 112.489 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.14 10.78 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.233 . . . . 75.04 112.363 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mm -88.87 -68.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 74.44 111.099 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -178.88 -86.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 72.25 111.072 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.16 -38.06 87.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 74.23 112.499 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.99 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 72.21 111.127 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.433 HG12 ' O ' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -51.34 -29.48 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 64.15 111.149 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.02 110.926 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 m -66.34 -45.16 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 71.01 110.892 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -32.58 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.32 110.906 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.6 t -62.06 -41.8 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 73.52 111.121 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -56.96 -35.75 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.866 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.81 -22.33 50.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 73.04 111.065 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.25 -24.33 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 75.12 111.072 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.29 -20.08 57.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 72.22 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.3 161.73 28.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.718 0.771 . . . . 75.43 110.824 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 102.97 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 75.43 112.34 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -175.63 -176.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 71.24 111.154 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -128.34 144.8 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 72.23 110.928 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -132.04 126.94 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.1 110.898 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.15 114.43 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 73.21 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.4 tt -126.46 129.37 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.929 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pp -127.32 116.07 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 70.22 111.131 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -111.75 105.24 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -29.94 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.838 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.27 -172.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 74.33 110.858 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -135.42 169.75 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 75.43 110.882 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -149.37 -71.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 74.24 110.903 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.64 126.43 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 71.43 110.885 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.07 -169.66 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 75.24 111.103 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.01 19.91 41.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 74.11 112.524 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 55.86 25.87 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.804 0.335 . . . . 72.11 110.87 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 52.44 -170.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.5 110.939 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.28 175.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 72.03 111.118 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -158.39 146.24 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.41 110.883 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -169.43 83.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.873 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -21.05 48.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 53.43 112.507 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -170.86 155.66 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 71.22 110.839 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.3 t -119.16 -31.69 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 72.35 111.123 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.42 -169.97 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 65.45 111.112 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.2 t -148.69 -60.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.01 110.845 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 62.73 -170.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 71.2 110.9 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.48 83.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.063 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.72 -22.94 2.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 74.4 112.543 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -97.85 -53.77 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.983 0.421 . . . . 73.42 110.886 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 64.09 140.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.115 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -121.54 -21.38 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 71.45 110.839 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -112.3 133.83 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.876 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.7 145.79 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.84 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 tt -123.37 126.13 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 73.31 110.905 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -135.91 118.72 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.913 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 m -116.74 135.14 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 73.51 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -119.22 113.6 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.33 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.06 103.67 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.849 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 72.07 0.06 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.883 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.57 84.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.158 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -178.75 57.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 74.35 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 142.02 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.6 -93.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 70.42 112.498 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.84 160.76 20.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 62.11 110.903 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 p 59.3 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.136 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -72.6 -34.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 71.2 110.98 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 m -60.29 -22.08 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 62.34 111.159 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -63.8 -42.0 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.931 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -68.67 -48.49 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -64.69 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.12 110.847 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.92 -39.3 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 74.43 110.904 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.99 -49.59 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 75.01 110.933 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 33.9 pt -81.39 -23.75 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.151 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.2 p90 38.94 40.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.918 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.75 -37.16 57.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.53 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 57.3 tp -62.22 154.82 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 73.54 110.966 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.76 54.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 64.53 110.903 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.0 p -139.28 -79.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 75.01 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.1 -23.17 44.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 72.44 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -53.15 -40.64 64.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 74.31 110.918 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.29 35.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 72.14 110.86 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.22 -30.06 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.51 110.919 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.59 -46.4 47.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.08 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.3 -6.32 39.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 70.12 112.484 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.2 145.28 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 73.12 110.89 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.62 163.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 75.12 110.813 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.37 161.54 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 62.24 111.107 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.71 129.12 45.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 72.51 110.923 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -130.92 121.64 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 52.1 111.025 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 11.9 ptp -119.62 119.78 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.853 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -106.44 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.54 111.18 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.86 109.57 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 64.15 111.154 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.24 149.22 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.877 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -49.93 159.64 0.74 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.567 0.698 . . . . 74.55 111.179 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 135.97 31.93 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 70.02 112.334 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.56 -18.19 39.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.23 111.123 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.12 134.84 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.53 110.907 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 73.4 110.918 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.763 0.316 . . . . 74.55 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -109.49 142.59 40.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 70.32 110.872 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 138.64 145.79 4.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 74.32 112.52 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.92 123.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 74.23 110.843 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -149.43 145.03 26.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 63.32 110.878 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -162.21 137.21 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.901 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -148.62 158.83 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 75.33 110.848 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -176.48 158.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 62.32 110.808 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -171.53 159.65 5.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.864 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.71 175.86 1.03 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.895 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.52 133.07 1.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 61.2 112.509 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.24 167.49 23.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 64.42 110.828 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -139.68 114.15 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 71.51 110.862 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -109.6 137.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.11 111.125 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -165.69 145.6 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 73.31 111.104 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.8 159.01 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.873 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 t -99.94 -176.85 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 74.13 110.893 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.6 tp -157.45 135.83 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 75.43 111.096 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.21 150.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.53 111.096 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -171.57 156.09 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.891 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -177.41 123.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 71.42 110.894 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.39 -172.17 38.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 75.21 112.488 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.47 -44.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 73.33 110.86 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.73 168.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.864 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.22 175.56 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 74.04 111.084 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -79.2 -179.71 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 72.52 110.906 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -140.63 166.14 25.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 72.35 110.87 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -98.56 153.57 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 63.32 110.955 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.14 176.63 8.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 64.05 110.972 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.01 -176.79 16.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 74.21 112.486 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.05 14.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 70.0 112.326 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 pt -118.35 -28.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 75.32 111.141 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -138.65 153.75 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.33 111.088 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.25 -38.77 57.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 41.23 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.17 -25.85 67.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 74.23 111.12 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.95 -31.02 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 65.3 111.114 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -40.18 97.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.887 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 p -65.22 -45.36 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 70.3 110.829 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -63.14 -33.42 75.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.54 110.893 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.71 -41.41 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 74.35 111.158 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -26.72 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 64.4 110.891 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.62 -22.32 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 74.5 111.136 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.44 -22.95 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.23 111.088 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.87 -32.16 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.904 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.47 159.89 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.672 0.749 . . . . 72.43 110.839 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 104.7 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 74.12 112.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -176.12 -171.89 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 75.03 111.171 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -127.64 124.37 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 70.23 110.88 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -115.47 130.86 57.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.877 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 1.9 tppt? -128.02 113.52 15.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 74.2 110.904 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.41 119.36 24.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.878 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.5 117.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.33 111.128 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.79 122.48 47.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.13 110.863 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -120.74 29.28 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 72.02 110.918 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -49.64 165.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.04 110.87 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -148.15 127.64 13.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.834 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -85.09 -69.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -134.19 152.51 51.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.852 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.58 -57.58 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 71.15 111.077 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.45 -115.87 0.5 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 71.33 112.486 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -160.52 30.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 73.02 110.838 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -172.62 50.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.964 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.07 75.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 75.34 111.095 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.95 -70.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 75.15 110.845 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -178.17 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.81 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.26 111.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 73.31 112.49 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.3 p -101.76 104.48 15.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.411 . . . . 63.22 110.828 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -106.7 -1.51 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 75.33 111.154 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.92 -169.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.21 111.101 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -57.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.852 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 63.52 -169.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.867 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 57.97 23.39 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 64.33 111.062 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.56 -28.44 0.11 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 74.05 112.47 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.48 -64.83 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 72.53 110.889 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 p 51.65 -171.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 74.41 111.128 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 25.3 p80 -174.96 -30.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.854 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -109.05 133.26 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.87 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.4 142.91 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.854 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -130.02 117.77 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.852 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.411 ' HG3' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -123.77 144.14 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 72.43 110.874 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.99 126.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 74.45 111.122 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -120.92 114.09 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.21 111.15 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.26 103.24 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 53.35 110.866 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.38 4.79 4.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 72.11 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.89 84.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 74.44 111.093 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.38 94.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.898 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 124.77 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.21 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -144.5 -39.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 61.41 112.493 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 pp -103.85 160.22 14.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.937 0.398 . . . . 72.12 110.921 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 49.0 p -46.72 105.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.142 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -54.86 -26.07 32.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.886 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.98 -23.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.4 111.118 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -49.23 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 72.53 110.874 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.5 -47.46 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.885 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.4 110.808 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.55 -33.13 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.941 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.47 -51.77 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.91 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.66 -27.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 71.11 111.078 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.8 p90 38.05 42.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 74.01 110.901 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.94 -26.52 37.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 75.3 112.465 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.9 mp -51.8 151.69 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 73.04 110.938 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tt 63.92 74.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.43 110.949 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -133.31 -80.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.867 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.27 -22.48 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 73.3 110.876 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -52.01 58.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 71.43 110.883 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -57.85 -25.36 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 70.24 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.81 60.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.41 110.945 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB1' HD21 ' A' ' 110' ' ' LEU . . . -111.06 -45.52 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 72.54 111.129 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.8 18.8 10.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 65.5 112.493 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.437 HD21 ' HB1' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -121.26 134.57 55.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 75.54 110.906 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.3 169.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.54 110.863 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -139.17 161.73 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.51 111.068 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.6 150.13 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.24 110.867 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -152.25 142.5 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.42 111.083 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.7 mtm -142.74 120.37 11.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.918 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 6.4 t -122.4 114.71 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 73.24 111.135 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.31 110.23 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.145 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -132.81 146.0 51.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.7 159.61 12.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 74.12 111.118 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.742 2.295 . . . . 73.43 112.322 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.24 -18.27 16.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.089 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.43 107.37 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 73.31 110.867 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 65.12 110.897 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ptp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.74 0.305 . . . . 72.14 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 61.05 85.51 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 74.41 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.15 121.85 3.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 75.11 112.505 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.64 125.97 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 75.1 110.876 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -149.26 113.34 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.55 -176.93 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 75.21 110.852 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 60.63 87.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.885 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -137.7 118.96 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 74.53 110.838 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -121.1 160.08 24.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 72.24 110.866 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -174.73 127.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.865 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.13 159.73 28.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 75.1 112.492 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.1 p -173.76 113.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 72.12 110.835 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -142.12 122.8 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 73.01 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -100.78 166.79 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 72.52 111.155 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.5 tt -140.98 145.89 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.22 111.124 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.52 145.63 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 61.53 110.869 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.77 177.44 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 72.21 110.871 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 tt -157.39 150.15 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.5 111.089 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.24 170.8 9.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 74.11 111.094 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -150.45 157.36 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.02 110.876 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -76.68 175.89 8.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 73.55 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.33 -158.03 7.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.774 . . . . 74.25 112.457 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -168.83 176.66 5.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 74.32 110.916 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.51 147.63 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.841 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -165.29 166.52 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 70.53 111.129 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.46 101.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.889 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -164.73 81.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 71.14 110.876 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.74 76.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.89 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.42 75.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 73.51 110.919 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.77 168.18 47.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 60.31 112.448 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' ILE . 54.1 Cg_endo -69.8 -48.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 75.21 112.366 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' PRO . 36.5 pt 37.43 42.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 74.23 111.121 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 179.94 105.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 75.0 111.08 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.41 50.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.78 -26.7 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.708 0.29 . . . . 71.45 111.13 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -30.68 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 72.32 111.114 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.72 97.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.92 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 m -65.03 -43.87 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 72.12 110.864 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -62.27 -35.24 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.939 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.32 -37.66 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 74.21 111.167 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.59 -37.31 80.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.01 110.899 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.21 -20.71 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 74.42 111.103 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.04 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 71.33 111.111 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.0 -39.27 85.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 74.21 110.928 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.89 164.32 61.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.712 0.768 . . . . 64.45 110.846 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 63.42 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 73.54 112.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -151.4 177.23 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 65.52 111.155 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -129.7 125.43 35.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 73.41 110.858 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -118.04 131.32 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.876 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -127.12 120.75 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 74.34 110.938 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.95 127.27 47.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.896 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -125.45 115.55 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.131 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.44 124.78 52.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.922 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.98 -33.89 8.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 75.02 110.873 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.43 -170.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 72.2 110.823 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -111.3 143.71 41.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.35 110.882 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -114.31 150.32 34.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.27 148.88 28.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 72.04 110.861 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.01 179.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 73.3 111.106 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.41 86.62 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 54.44 112.469 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.2 t60 59.5 44.97 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 74.31 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 56.66 93.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.902 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.43 98.06 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 75.53 111.074 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.43 109.87 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.907 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -166.91 46.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 71.15 110.859 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.45 118.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 75.25 112.504 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 p -114.95 160.0 20.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 71.0 110.867 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.3 m -123.75 -36.55 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 75.01 111.121 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 62.53 101.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.23 111.081 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 t -161.22 -58.06 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 73.51 110.828 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.79 99.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.05 107.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.41 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.53 -21.18 35.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 70.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.37 -67.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 74.42 110.935 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p 64.56 136.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 73.24 111.12 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -121.88 -12.94 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.868 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.442 ' CE2' ' HB3' ' A' ' 104' ' ' ASP . 7.7 m-85 -112.0 136.55 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -147.88 118.0 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.874 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.86 117.0 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.906 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -121.69 145.48 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.9 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.45 126.95 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 75.24 111.115 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.5 m -119.53 115.15 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 75.55 111.157 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 104.22 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.885 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.55 3.48 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.842 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.05 77.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 74.25 111.146 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 179.38 78.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 64.41 110.87 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 142.59 35.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 73.44 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.58 -36.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.757 . . . . 73.31 112.533 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.417 ' CD1' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -115.77 161.76 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 74.13 110.891 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.1 t -44.09 127.34 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.143 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.71 -25.94 68.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.914 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.7 m -57.21 -22.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 75.53 111.161 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -49.75 67.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -40.48 86.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.35 110.842 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -68.76 -33.32 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.895 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -74.11 -33.22 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 70.15 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.07 -51.41 61.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.976 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.3 pt -81.87 -20.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.137 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.8 p90 39.2 43.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.966 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.92 -37.6 18.6 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.73 . . . . 65.12 112.478 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.8 tp -69.79 166.17 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.43 110.948 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tp 65.18 80.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 72.41 110.909 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.54 -88.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.852 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.442 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 10.6 t70 -80.67 -19.31 45.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 71.1 110.902 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.13 -40.57 70.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.7 -36.76 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -61.36 -31.22 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 74.42 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.22 -46.28 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 73.42 111.123 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.41 -6.46 39.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 62.44 112.495 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.62 143.79 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 73.53 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.864 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -140.08 163.74 31.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.093 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.53 125.56 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.914 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -123.54 141.76 51.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 75.52 111.073 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.8 mtm -142.77 120.42 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 74.34 110.842 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.68 122.39 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 62.13 111.129 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.47 109.79 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 75.15 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.18 142.68 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.911 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.04 159.77 44.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 73.33 111.135 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 75.43 112.326 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.02 -18.27 32.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 63.53 111.071 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.47 127.76 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 73.03 110.889 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 74.55 110.936 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.777 0.323 . . . . 73.22 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -64.4 154.26 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 74.52 110.909 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.89 -161.33 34.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 63.41 112.447 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.98 176.11 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 74.21 110.874 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.41 171.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 75.5 110.852 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -154.72 44.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.841 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -129.21 101.42 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.878 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -166.02 111.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.811 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -174.06 105.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 70.31 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.49 171.01 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 75.32 110.84 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.15 -152.15 6.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 73.12 112.528 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.1 -65.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 64.13 110.875 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' VAL . 9.6 m80 71.35 -70.0 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.2 110.878 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' HIS . 27.1 m 36.97 44.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 71.22 111.12 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.5 mm 65.31 151.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 75.04 111.136 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.71 153.14 22.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.857 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.83 164.51 19.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 73.15 110.83 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 pt -144.32 175.7 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 73.1 111.134 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.57 175.07 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.09 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m -143.63 -171.9 3.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.869 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -137.79 -177.38 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.895 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.54 -174.2 15.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 55.05 112.528 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.41 -176.56 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 73.43 110.861 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -135.52 178.21 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.06 166.45 21.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 72.23 111.13 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -152.01 165.29 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.45 110.884 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 179.46 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.857 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.11 106.3 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.931 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.9 mt -140.23 128.37 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 73.14 110.914 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.9 170.16 47.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 43.1 112.463 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.15 22.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 71.44 112.324 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -137.22 -70.41 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.134 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -134.88 164.83 26.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 63.3 111.061 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.62 -38.56 52.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 52.01 112.51 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.28 -26.35 66.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 75.52 111.088 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 4.8 tt -52.27 -32.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.128 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -66.41 -37.77 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.914 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 m -64.47 -47.99 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 3.1 ptmt -63.94 -33.74 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 72.03 110.91 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.1 t -59.11 -40.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 71.35 111.16 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -55.13 -36.01 65.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.3 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.63 -21.48 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 70.33 111.133 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.97 -24.87 66.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.51 111.108 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -21.55 62.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.6 161.05 26.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.668 0.747 . . . . 73.32 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 98.15 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 73.34 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -175.67 -171.55 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 75.03 111.138 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -128.45 146.77 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 72.05 110.848 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -130.11 134.24 47.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 75.15 110.856 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -127.93 117.28 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.909 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 tt -124.8 121.34 34.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 61.42 110.914 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 pp -121.95 113.95 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 71.34 111.156 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.27 126.86 55.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 75.43 110.884 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -43.99 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.845 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.32 -168.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.15 110.852 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.2 176.18 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.843 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -136.49 -52.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 74.04 110.918 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -156.63 149.08 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.879 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 67.33 -79.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 75.32 111.122 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.53 -73.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 75.54 112.483 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.11 24.69 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.31 . . . . 73.52 110.813 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.5 t80 72.21 -69.09 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 75.54 110.934 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 58.18 24.28 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.33 111.1 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.916 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -144.28 25.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.03 110.856 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.55 158.48 28.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 71.33 112.49 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 p -169.73 -178.84 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.954 0.407 . . . . 71.25 110.832 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 t -61.81 -36.82 82.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 73.4 111.177 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 60.48 170.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.13 111.089 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -147.24 -63.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 71.41 110.839 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.12 57.97 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 70.33 110.86 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.93 -25.1 7.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.088 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -120.65 30.6 5.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 63.33 112.479 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -106.6 -65.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 61.44 110.92 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p 64.66 123.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 73.35 111.147 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.23 -16.85 9.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.846 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.419 ' CE1' ' HA ' ' A' ' 105' ' ' GLU . 13.9 m-85 -112.23 135.63 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.896 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.91 136.52 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 72.5 110.877 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -129.61 118.32 21.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.911 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -138.35 144.33 40.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.15 110.851 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.67 143.62 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 74.15 111.149 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -119.51 112.35 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 75.02 111.162 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.53 102.83 9.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.873 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 65.81 9.57 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.881 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.61 79.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 74.02 111.116 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.69 91.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.43 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -76.63 124.37 27.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.856 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -140.63 -30.07 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 72.32 112.524 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.38 160.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 75.32 110.911 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 68.9 p -49.75 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.125 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -51.52 -25.78 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.22 110.94 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.5 m -55.96 -25.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 65.41 111.11 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -66.36 -51.16 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.888 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -48.6 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.42 110.905 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -59.88 -33.25 71.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.82 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.43 -32.8 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.69 -50.15 73.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.908 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 pt -82.01 -33.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.14 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.0 p90 38.76 41.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.61 1.37 85.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 65.42 112.514 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.96 56.63 2.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 73.51 110.901 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.27 103.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.893 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.4 t 179.46 -77.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 63.03 110.887 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -78.8 -27.85 44.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 71.4 110.843 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.419 ' HA ' ' CE1' ' A' ' 77' ' ' PHE . 0.4 OUTLIER -52.98 -39.95 63.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 72.54 110.84 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -27.99 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.871 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -65.93 -16.83 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.03 110.915 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.402 ' CB ' ' CD2' ' A' ' 110' ' ' LEU . . . -116.96 -42.23 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 70.53 111.119 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.92 19.28 9.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 60.23 112.46 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.402 ' CD2' ' CB ' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -107.69 139.29 42.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 75.43 110.96 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -162.65 154.9 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 75.01 111.087 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.4 151.14 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.931 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -132.24 126.75 34.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 62.2 111.135 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.4 mtm -142.24 116.95 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.92 129.79 50.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 75.51 111.151 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 109.78 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 74.43 111.159 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 140.59 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 73.54 110.95 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -57.57 160.04 8.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 75.33 111.087 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 171.87 13.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 75.54 112.34 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.32 14.23 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -130.06 121.19 25.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 64.51 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.918 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ptt? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.756 0.312 . . . . 72.35 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -120.79 119.16 31.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.19 167.25 11.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 62.14 112.474 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 t -177.8 -72.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 62.11 110.887 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.1 m80 63.01 166.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.865 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -174.33 -177.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 72.51 110.877 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -138.04 166.71 23.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 64.13 110.873 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -138.57 -173.86 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.836 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -157.66 -174.12 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 65.24 110.906 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.49 -170.1 3.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.829 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.45 -97.09 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 74.33 112.449 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.21 164.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 74.04 110.866 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.2 -174.18 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 m -151.3 165.46 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 74.43 111.133 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -172.82 146.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 75.34 111.129 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.7 p -178.12 141.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.865 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -179.4 140.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 62.11 110.84 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.1 tt -176.9 136.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 74.21 111.127 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -178.27 133.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.02 111.106 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.41 129.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 71.11 110.819 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.56 136.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 75.4 110.893 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.09 120.39 1.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 74.54 112.518 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -179.28 107.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 74.03 110.862 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -174.76 96.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.862 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -178.26 105.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.11 111.08 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -174.9 102.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 61.42 110.872 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.21 150.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.861 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.2 167.83 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.962 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.0 mt -152.26 179.4 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.95 76.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 61.13 112.482 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 154.48 67.54 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.248 . . . . 75.23 112.32 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.6 mt -141.79 -72.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.156 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.23 162.56 12.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.122 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.82 54.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 73.54 112.484 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.92 -25.69 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 73.05 111.106 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -50.77 -31.28 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 73.22 111.125 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -39.92 96.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.89 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -64.51 -45.23 88.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 75.31 110.905 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 pttm -64.15 -33.57 76.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.882 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.67 -38.16 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 72.0 111.112 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.15 -38.23 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.03 110.849 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.03 -19.4 54.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 45.22 111.105 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.58 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 75.14 111.104 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.32 -37.21 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 72.33 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.419 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -73.3 166.64 41.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 54.43 110.893 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.71 75.02 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 73.25 112.332 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -172.89 174.26 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.41 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -127.87 125.55 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 75.32 110.891 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -115.23 133.5 55.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.05 110.871 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 130.4 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 73.33 110.893 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -129.37 122.52 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.875 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 pp -125.32 117.07 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.12 111.15 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -109.15 122.64 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 54.32 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -33.74 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 71.43 110.902 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.9 -175.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 54.02 110.876 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -150.66 150.91 31.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 63.14 110.868 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -64.73 -168.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.895 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.32 122.56 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.887 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.6 -175.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 74.0 111.082 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.62 55.64 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 74.23 112.504 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -122.48 -6.97 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.333 . . . . 75.14 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 64.48 -177.72 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.92 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.58 109.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 64.24 111.081 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 72.3 -69.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -168.32 28.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 62.25 110.852 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.99 82.84 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 64.54 112.498 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 p -65.03 -35.7 82.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 75.31 110.855 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 24.8 m 52.77 60.85 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.171 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.62 98.63 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 75.31 111.104 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 t -176.05 -76.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.821 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 49.82 86.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 72.43 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.78 119.9 20.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.126 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.44 51.09 57.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 75.13 112.47 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -135.62 -74.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 75.53 110.913 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p 63.5 142.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 72.42 111.155 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -121.84 -23.66 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.851 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -112.18 135.24 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.416 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 0.1 OUTLIER -138.78 146.08 40.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.861 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.25 114.79 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.938 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.94 149.22 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 72.41 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG11 ' HA ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -143.62 129.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.01 111.141 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -118.3 120.24 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 73.41 111.123 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.45 104.45 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.869 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.05 8.95 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 75.22 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.21 77.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 75.41 111.118 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 179.82 92.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 73.45 110.914 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 138.57 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.03 110.907 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.52 -76.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.725 . . . . 61.04 112.454 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.1 159.73 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 75.42 110.94 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.8 t -47.94 129.84 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 75.22 111.135 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.9 -25.29 61.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.55 110.957 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.3 m -56.68 -23.93 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 75.3 111.123 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -68.13 -49.42 61.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 54.34 110.876 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -47.23 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 75.31 110.844 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -34.14 76.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 73.02 110.896 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.87 -33.04 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.7 mt -61.14 -52.86 63.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.932 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.3 pt -82.96 -22.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.43 111.12 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 38.54 45.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.31 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.45 -8.47 57.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.753 -0.736 . . . . 73.3 112.455 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.0 tp -82.67 55.43 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 72.3 110.912 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.0 tp 179.18 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.54 110.926 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.2 -75.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 64.31 110.866 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -67.57 -33.88 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 71.23 110.865 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -38.22 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 71.3 110.879 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.46 -26.72 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.42 110.865 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -80.04 -13.92 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 73.42 110.946 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.82 -41.63 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.3 111.089 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.09 -7.41 40.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 64.13 112.519 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.483 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.22 143.08 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 70.51 110.942 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.84 173.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 70.33 110.867 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.47 163.17 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.44 111.109 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 148.86 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.931 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -141.83 141.05 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.51 111.127 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.5 mtp -143.07 120.08 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.4 ' HA ' HG11 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -122.83 124.64 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.129 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.65 109.92 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.93 139.24 46.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 73.32 110.883 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -53.07 158.94 2.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 71.13 111.192 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -177.46 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 71.02 112.327 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.46 14.17 32.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 72.33 111.084 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.42 132.67 35.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 71.11 110.87 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.772 0.32 . . . . 73.44 110.854 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.11 135.08 44.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.879 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.8 122.4 1.03 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 61.3 112.456 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.64 132.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 73.21 110.862 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.82 147.63 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 61.2 110.849 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -169.77 146.0 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.3 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -130.7 -176.6 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.35 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -158.16 -176.18 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 72.15 110.842 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.52 131.95 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.33 110.912 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -121.8 -173.35 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 63.24 110.881 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.49 -155.03 6.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 75.41 112.498 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.03 168.09 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 72.13 110.841 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -177.29 144.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 75.42 110.876 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 p -158.57 139.98 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 75.32 111.094 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 pt -136.57 155.25 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 73.12 111.143 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -133.2 -177.47 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 72.11 110.863 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.49 -60.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 72.1 110.83 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 tt -158.66 149.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 71.32 111.133 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -164.27 138.36 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 71.51 111.092 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.2 t -163.4 163.1 25.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.829 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 -170.65 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 75.2 110.902 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.04 -158.57 33.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 75.43 112.508 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.2 p -136.7 -174.84 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 73.22 110.846 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.0 175.45 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.889 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.95 -170.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 65.21 111.059 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.61 178.4 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.899 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -127.4 174.78 8.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 72.2 110.841 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.86 158.68 25.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.902 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.46 165.2 37.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.923 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.26 177.85 5.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 64.01 112.491 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.423 ' HG2' ' H ' ' A' ' 32' ' ' ILE . 53.6 Cg_endo -69.8 -85.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.623 2.215 . . . . 73.22 112.354 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.423 ' H ' ' HG2' ' A' ' 31' ' ' PRO . 3.2 mm 60.07 167.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 73.13 111.139 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' O ' ' CG2' ' A' ' 36' ' ' ILE . . . -121.97 -151.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 72.21 111.077 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -47.05 -34.63 7.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 65.14 112.466 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.95 -30.92 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 74.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.466 ' CG2' ' O ' ' A' ' 33' ' ' ALA . 19.0 tt -60.43 -32.17 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 71.22 111.144 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -37.2 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 73.45 110.901 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.2 t -64.85 -48.18 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 73.53 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 74.5 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.5 t -60.45 -37.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.12 111.108 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.56 -40.92 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 72.35 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.13 -22.14 66.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 75.34 111.105 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.46 -24.5 66.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 75.11 111.129 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.39 -23.59 64.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 71.31 110.861 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.63 161.35 25.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 64.42 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.28 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 70.01 112.337 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -175.72 -171.31 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 75.12 111.11 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -128.37 145.83 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.853 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -133.2 127.53 33.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.875 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -127.34 112.45 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 71.52 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.86 127.17 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.937 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.74 114.16 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 75.42 111.138 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -110.71 125.63 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 54.51 110.888 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.8 45.32 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.88 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.446 ' H ' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -44.37 136.57 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 71.32 110.903 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.66 129.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.873 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.08 153.85 22.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.887 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -113.88 122.52 47.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.875 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -173.11 -179.36 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 72.13 111.084 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.99 67.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 74.33 112.453 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -157.27 24.61 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 75.33 110.819 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -175.35 158.52 2.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 73.23 110.925 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.71 155.87 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 64.22 111.079 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? 52.02 78.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.903 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.61 55.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.859 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.34 -67.0 2.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 72.24 112.475 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t 63.36 81.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.955 0.407 . . . . 62.04 110.854 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -51.97 -30.27 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 74.31 111.125 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 59.16 95.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.22 111.075 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.6 t -152.22 -74.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.868 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 57.72 45.68 18.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 73.42 110.834 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.75 -23.98 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.096 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.22 -30.03 11.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 72.42 112.467 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -67.94 -56.64 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 74.43 110.903 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p 64.63 127.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 74.51 111.171 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -116.7 -17.16 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 75.04 110.881 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -111.51 135.05 52.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.883 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.66 141.0 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 64.25 110.835 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.83 119.58 18.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.907 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -144.12 146.3 32.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.881 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.9 m -132.0 141.85 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.44 111.083 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -119.23 113.64 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.52 111.124 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.06 104.18 11.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.808 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.68 8.7 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 73.23 110.868 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.99 80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.14 111.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -177.53 75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.908 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 130.74 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 73.53 110.902 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.36 -63.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 54.02 112.503 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.25 160.06 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 75.45 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.4 t -46.53 128.04 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 72.2 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -71.73 -32.23 67.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.883 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 m -56.99 -21.78 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.102 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -50.01 59.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.939 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.61 -47.65 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 74.54 110.896 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -59.59 -35.32 74.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 64.22 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -34.34 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 71.31 110.923 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.32 -49.62 76.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 62.35 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.8 pt -82.84 -27.11 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 70.32 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.0 48.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.945 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.67 -36.83 5.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 74.53 112.511 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.05 65.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 61.24 110.917 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 174.86 57.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.888 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.43 -75.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.83 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -62.36 -40.52 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 61.12 110.857 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -30.65 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.2 110.871 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.34 -43.54 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.44 110.841 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -59.24 -20.02 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.53 110.85 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.16 -49.48 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 74.45 111.087 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.37 19.14 10.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 71.23 112.514 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.55 139.39 51.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 64.2 110.909 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.15 176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.853 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.83 158.45 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.34 111.116 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.65 130.39 52.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 72.13 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -117.78 111.75 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 53.35 111.107 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.84 118.79 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.842 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -121.76 135.21 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.12 111.162 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 t -120.85 110.02 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.65 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.33 110.919 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.2 p -51.09 159.08 1.08 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 74.5 111.15 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -170.73 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.678 2.252 . . . . 75.41 112.326 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.79 -18.2 18.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 62.22 111.131 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -97.07 122.25 39.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.52 110.942 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 mmt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 74.34 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.4 178.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 71.32 110.906 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.75 -170.33 31.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 74.12 112.472 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -152.39 157.22 40.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 74.31 110.893 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.11 131.87 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.75 160.63 18.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 74.54 110.846 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -108.82 126.69 53.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.916 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.13 136.43 51.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.83 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -76.67 175.21 9.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.828 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.47 179.14 6.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.873 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.59 -158.96 8.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 73.22 112.461 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.15 -175.81 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.372 . . . . 74.13 110.864 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -143.65 142.45 31.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 65.14 110.867 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 t -107.0 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 73.41 111.123 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 tt -127.17 144.81 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.12 111.13 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.71 -177.87 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.801 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -171.2 152.13 3.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 75.44 110.824 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.0 pp -132.37 174.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 74.43 111.14 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -167.86 156.0 8.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 34.41 111.075 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.85 132.03 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 72.14 110.895 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.93 158.64 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.875 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.08 132.32 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 75.22 112.52 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -174.86 152.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 62.11 110.839 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.4 ttm -173.02 153.86 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 63.5 110.846 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -172.35 155.33 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 71.24 111.148 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.79 125.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.423 . . . . 72.32 110.853 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.73 115.23 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.826 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.94 118.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 74.24 110.909 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -106.49 154.94 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 71.32 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.43 169.28 32.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 65.24 112.43 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.55 12.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.68 2.254 . . . . 75.32 112.311 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.6 mt -135.88 -71.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 72.21 111.182 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.16 167.77 18.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 71.14 111.105 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.86 -37.0 51.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.703 -0.76 . . . . 53.45 112.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.68 -25.21 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.32 111.08 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tt -50.75 -31.8 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.24 111.111 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -40.04 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 65.45 110.91 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -64.76 -45.6 85.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.51 110.866 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -32.33 73.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 71.21 110.909 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.64 -42.22 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.13 111.106 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.66 -27.54 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 -20.71 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 62.31 111.096 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.48 -21.63 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.45 111.077 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.47 14.43 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.71 164.9 33.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.673 0.749 . . . . 71.43 110.867 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 77.46 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 72.44 112.361 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -176.42 176.64 1.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 65.32 111.156 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -129.15 125.49 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.21 110.868 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -114.79 119.42 36.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.871 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.94 118.62 37.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.888 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tt -125.62 121.14 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.914 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.3 114.44 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 74.45 111.127 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -115.35 124.38 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 63.21 110.851 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -65.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 72.33 110.866 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.32 132.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 72.44 110.882 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -139.99 172.99 11.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.876 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.01 -30.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 64.21 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.42 172.04 7.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 75.25 110.881 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.48 -56.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 75.41 111.127 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.01 -158.03 20.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 72.55 112.503 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -121.73 42.45 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 74.55 110.841 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -159.12 164.45 35.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 72.43 110.92 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.96 144.84 47.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 64.32 111.124 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 72.24 110.854 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.25 -35.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 64.15 110.84 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.96 121.99 0.65 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 72.25 112.504 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -175.81 156.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.41 . . . . 74.21 110.848 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.1 t -120.97 -37.56 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 75.14 111.129 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -177.96 -172.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 71.43 111.078 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.8 t -179.02 77.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 72.34 110.876 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -121.42 92.55 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 45.44 110.837 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.24 -30.71 11.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.045 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.89 42.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 64.42 112.463 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.89 -62.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.987 0.422 . . . . 74.42 110.931 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p 64.7 134.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 52.32 111.17 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 76' ' ' HIS . 2.0 p-80 -118.81 -16.95 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 73.04 110.892 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -111.31 138.3 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.884 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.49 132.3 18.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.1 110.873 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -121.11 115.45 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.13 110.91 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -123.88 128.51 49.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.32 128.63 75.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 72.44 111.1 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.3 m -119.03 120.38 37.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.135 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.82 103.68 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 71.41 110.883 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.07 6.63 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 72.12 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 46.35 78.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 65.24 111.108 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 175.88 84.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 74.32 110.878 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 138.13 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 75.51 110.881 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -148.54 -31.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.54 112.506 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.78 159.95 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 72.53 110.93 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.0 p -48.67 109.95 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.35 111.122 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.24 -25.33 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 74.05 110.926 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.9 m -55.92 -36.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 52.31 111.107 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -48.5 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.05 110.936 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -36.66 80.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.825 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.99 -36.44 83.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 70.1 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.57 -33.27 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 65.34 110.948 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.77 -50.84 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 64.35 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 48.6 pt -82.85 -26.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.5 111.114 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.01 46.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.09 -31.89 5.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 73.23 112.456 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.1 152.3 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 74.45 110.929 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.5 tt 68.6 93.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.952 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.7 -67.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 75.12 110.852 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.51 -37.1 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 64.11 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -53.39 -31.46 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.931 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -27.93 58.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 72.42 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -27.92 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.91 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.447 ' HB2' HD23 ' A' ' 110' ' ' LEU . . . -101.38 -31.42 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 71.13 111.12 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 105.62 18.21 12.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 43.24 112.491 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 108' ' ' ALA . 0.5 OUTLIER -119.59 139.57 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 73.13 110.885 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 74.03 110.884 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.56 149.94 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.24 111.116 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.2 130.94 53.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -133.79 145.22 49.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 71.31 111.106 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -142.84 120.49 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.84 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 p -113.91 121.66 44.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.42 111.131 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -121.96 108.84 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 55.14 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -130.96 149.37 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 74.22 110.88 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 133.48 27.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.611 0.72 . . . . 75.23 111.138 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 119.94 6.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 64.54 112.312 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.49 -18.29 36.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.23 111.089 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -91.04 96.12 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 70.4 110.922 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.915 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.759 0.314 . . . . 73.43 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -163.31 167.39 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 71.33 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.8 159.42 22.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 74.23 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.5 p -175.36 127.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 72.23 110.903 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -162.46 92.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.877 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -155.48 84.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 73.41 110.835 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -159.77 167.82 27.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.847 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -128.56 114.69 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.835 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.07 166.6 21.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 75.04 110.876 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.16 136.4 54.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.91 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.21 -162.86 6.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 60.22 112.517 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.3 p -174.54 168.94 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 74.43 110.87 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -157.56 132.24 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.847 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 m -116.07 159.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 73.21 111.144 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 pt -142.71 140.61 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.52 111.134 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -172.13 161.48 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 74.34 110.842 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.1 134.9 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 74.11 110.845 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.2 tt -60.03 -33.28 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 61.24 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.65 67.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 73.12 111.118 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.23 -61.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 64.31 110.895 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? 58.85 50.73 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 72.21 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -131.47 148.49 18.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 63.41 112.519 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.81 111.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 74.23 110.848 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -151.33 -169.96 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 74.04 110.926 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.73 161.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 73.35 111.071 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -177.01 -178.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.872 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.14 -171.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 75.01 110.855 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 58.4 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tp -125.27 104.67 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 74.32 110.926 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.0 175.63 47.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 42.22 112.513 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -44.3 2.12 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.677 2.251 . . . . 72.24 112.302 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.4 mm 66.34 -77.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.35 111.132 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -153.36 147.29 25.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 54.52 111.133 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.67 -39.26 54.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 75.32 112.509 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.51 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 73.13 111.083 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -30.61 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.03 111.17 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.97 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.907 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 m -65.61 -43.51 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.881 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 73.31 110.877 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.33 -39.02 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 73.43 111.131 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.7 -34.29 75.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.51 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.04 -19.92 46.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 72.43 111.16 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.59 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.098 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.82 -28.62 50.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 70.13 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.454 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -84.87 168.26 21.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 72.12 110.823 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 -4.92 15.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 71.24 112.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -79.5 177.78 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.141 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -129.7 134.4 47.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.1 110.843 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.44 126.18 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 74.02 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -122.71 123.83 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 71.43 110.881 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.74 126.55 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.24 110.935 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.7 114.36 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.31 111.143 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.402 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -110.31 125.32 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.907 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.24 -44.04 4.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 64.42 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t 51.05 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -92.75 -32.23 14.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.51 110.896 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 mttt 62.14 -175.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 65.54 110.916 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.24 130.93 46.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 64.35 110.893 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 62.76 168.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 72.15 111.104 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.33 -79.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 64.23 112.498 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -148.13 27.09 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 75.54 110.913 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.47 114.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 73.15 110.908 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.76 162.89 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 62.23 111.083 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.91 90.6 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.904 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -179.51 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 51.44 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.54 95.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 73.1 112.535 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.1 p -112.0 123.26 49.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 73.54 110.803 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -99.49 41.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 74.15 111.138 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.36 96.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 61.41 111.085 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -179.04 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.55 110.838 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 62.49 97.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 72.55 110.847 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.38 -35.18 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.53 111.055 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.56 40.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 73.15 112.48 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.9 tp10 -77.1 -52.18 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 73.34 110.904 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p 64.57 126.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 75.21 111.113 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -118.11 -9.76 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.51 110.846 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 5.7 m-85 -112.61 135.35 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.903 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.71 127.59 12.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 74.22 110.882 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -120.66 117.21 26.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.914 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.13 133.75 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 75.3 110.868 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.11 129.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.118 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -119.35 115.13 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 72.33 111.162 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 103.54 9.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 71.22 110.871 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 68.18 5.45 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 63.02 110.878 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.32 78.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 63.2 111.123 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -176.07 72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.887 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 143.16 28.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.853 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.03 -36.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 71.31 112.499 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.6 pp -101.99 160.6 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 75.11 110.93 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 p -45.08 110.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.169 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -53.34 -30.07 37.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.51 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.33 -20.5 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 73.12 111.159 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -49.03 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.54 110.933 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -40.5 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.43 110.872 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -69.22 -42.26 75.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.82 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.37 -32.73 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 75.44 110.874 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.81 -52.62 64.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.955 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.2 pt -84.02 -19.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.169 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.6 p90 38.23 58.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.94 -37.76 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 54.14 112.468 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 tp -65.33 171.61 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 74.22 110.888 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 tp 61.06 92.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 65.53 110.951 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -75.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -73.79 -29.84 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 54.13 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -41.8 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.935 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -29.29 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.855 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -73.78 -16.68 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 64.24 110.871 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -93.14 -42.51 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 73.52 111.104 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.34 -3.72 33.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 64.54 112.48 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.76 141.49 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 73.44 110.87 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.888 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -148.3 162.8 38.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.14 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.58 132.59 54.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 74.04 110.9 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -124.55 139.69 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 74.53 111.061 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.93 119.66 19.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.905 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -124.84 121.13 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 72.33 111.131 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -120.79 109.74 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 62.32 111.156 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -139.9 140.58 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 75.3 110.902 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.88 136.13 82.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.53 0.681 . . . . 75.42 111.138 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 161.84 44.39 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.683 2.255 . . . . 71.15 112.331 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.38 14.17 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 64.34 111.106 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.5 105.43 15.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.918 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.883 -179.911 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 mtm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.765 0.317 . . . . 71.42 110.83 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -145.7 145.23 30.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 73.55 110.827 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.94 -101.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 65.33 112.482 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.51 164.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 73.3 110.875 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.51 -174.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 71.41 110.859 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -164.49 151.64 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 72.24 110.89 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.16 -178.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.84 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.69 153.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.847 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -178.38 169.58 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 75.23 110.831 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -170.8 175.19 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 73.45 110.834 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 137.3 179.13 16.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 54.44 112.49 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -165.78 169.95 14.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 73.43 110.857 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -173.1 170.75 4.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.841 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.1 177.18 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.44 111.113 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 pt -146.69 -178.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 75.51 111.135 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -177.96 126.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 71.02 110.869 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 t -174.28 123.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 75.53 110.857 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 pt -112.26 -26.15 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 74.22 111.103 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.55 163.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 53.15 111.145 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.06 137.79 14.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 70.13 110.846 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.85 -178.85 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.919 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.98 140.28 2.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 51.33 112.438 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 p -170.16 128.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 73.11 110.89 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.05 -175.11 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.02 110.894 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.05 95.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 73.24 111.107 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -120.87 66.95 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.865 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -111.72 144.72 40.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.847 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -175.18 -36.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.872 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.02 -72.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.921 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.89 67.24 1.73 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 74.41 112.467 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.92 20.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 75.34 112.355 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 pt -115.96 -20.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.32 111.117 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -149.97 153.33 36.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 60.25 111.087 179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.52 -38.96 52.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 71.11 112.473 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.63 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 64.43 111.14 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.36 -31.27 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.52 111.102 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.11 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.32 110.909 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -63.69 -43.68 95.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.22 110.867 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.884 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.63 -36.07 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 53.31 111.147 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.71 -34.03 69.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.01 110.872 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.29 -18.69 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 63.22 111.132 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.36 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 55.2 111.119 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.21 -23.63 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.02 110.913 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.406 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -95.93 165.88 15.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.696 0.76 . . . . 74.13 110.889 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.79 76.49 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 64.44 112.35 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 t -155.48 177.38 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 71.53 111.154 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -129.15 124.93 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 63.4 110.866 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -120.41 127.35 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.87 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 115.82 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.902 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.65 132.64 56.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 73.53 110.924 179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 pp -125.28 114.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.42 111.159 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.408 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -110.27 125.3 52.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.858 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.13 46.88 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.33 110.812 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -46.34 138.28 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 74.33 110.829 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -137.46 128.64 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 62.4 110.859 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -76.64 176.57 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.51 110.902 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -100.24 142.28 31.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.873 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.98 -172.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 71.14 111.114 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.67 -91.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 72.24 112.531 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -171.09 59.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 73.41 110.897 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -100.36 74.99 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.879 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.81 -41.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 54.14 111.094 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? 63.23 27.05 15.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 72.1 110.878 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -117.72 -29.11 5.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.808 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.01 92.05 2.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 61.23 112.486 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.09 150.9 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 64.33 110.823 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.5 t -109.42 -30.8 7.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 73.12 111.137 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.56 -172.49 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 61.22 111.13 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.93 47.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.821 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.81 47.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 63.13 110.845 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.77 86.39 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 61.24 111.079 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.12 -15.64 8.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 61.34 112.522 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.68 53.41 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 73.3 110.892 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 37.3 p -48.41 136.44 12.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 74.22 111.156 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -122.81 -9.11 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.825 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 53' ' ' ASN . 7.1 m-85 -112.0 135.36 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 64.34 110.904 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -148.84 137.71 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 74.01 110.911 -179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -125.45 117.65 24.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.898 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.17 141.14 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.898 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -144.28 127.01 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.21 111.111 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.1 m -121.25 113.46 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 64.21 111.147 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.466 ' C ' ' H ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -123.89 104.49 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 75.02 110.859 -179.861 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.41 ' CB ' ' O ' ' A' ' 83' ' ' SER . 2.7 m-20 77.19 -32.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.12 110.87 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 83' ' ' SER . . . 70.71 58.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 70.14 111.098 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -160.36 70.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 73.35 110.901 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 117' ' ' THR . 0.1 OUTLIER -54.91 149.07 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.31 110.916 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.1 -36.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 75.53 112.526 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.51 162.08 17.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 75.35 110.855 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.5 t -39.42 129.55 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 65.22 111.127 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.01 -24.34 60.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 73.12 110.909 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.3 m -55.1 -23.32 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.14 111.13 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -49.12 53.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.913 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -46.97 73.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 73.43 110.855 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.32 -37.37 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.884 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.75 -31.77 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 73.43 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.91 -49.73 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.905 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 99' ' ' TYR . 29.5 pt -82.45 -32.59 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 73.22 111.087 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' ILE . 44.1 p90 38.24 45.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.909 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.89 -36.96 7.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 74.41 112.472 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.72 62.37 1.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 74.5 110.936 -179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.52 78.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.35 110.923 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -76.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 50.42 110.865 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -72.17 -32.79 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 72.42 110.856 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.01 -30.5 47.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 63.33 110.885 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -68.59 -37.68 80.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.859 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -59.45 -21.44 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.32 110.906 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.449 ' CB ' HD13 ' A' ' 110' ' ' LEU . . . -81.72 -53.38 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.35 111.101 179.831 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.66 6.76 28.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 54.12 112.508 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.478 ' H ' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -121.9 144.25 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 74.21 110.948 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -53.53 178.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.883 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.88 151.06 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.52 111.091 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.85 132.62 54.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 71.55 110.891 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.88 136.01 49.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.01 111.121 179.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.2 mtt -124.0 118.43 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 75.51 110.856 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 5.7 t -123.93 121.56 35.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 75.33 111.155 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.416 ' HA ' ' HG2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -121.85 110.24 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.13 111.152 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.67 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.928 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.33 73.86 1.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 75.52 111.131 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -11.1 30.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 61.21 112.354 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.55 -18.16 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 55.31 111.095 179.896 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -89.85 100.21 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 71.22 110.88 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.4 110.908 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.79 0.329 . . . . 75.05 110.924 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? 62.34 172.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 71.41 110.853 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.42 174.07 24.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 74.53 112.498 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.82 162.47 40.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 65.45 110.87 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.41 177.78 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 74.05 110.826 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -153.5 128.46 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 62.01 110.853 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -130.57 164.77 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.891 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -114.32 140.35 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.861 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.37 149.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.857 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -105.33 161.6 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 62.22 110.864 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.11 162.18 12.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 65.14 112.472 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.07 172.82 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 71.32 110.843 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -84.66 123.15 30.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 73.43 110.853 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 m -142.87 69.11 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 75.55 111.143 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 tp -59.94 -27.4 38.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 73.21 111.149 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.23 114.45 26.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 75.13 110.853 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.28 168.96 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 74.4 110.839 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 pt -110.05 177.65 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 71.1 111.129 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.17 166.79 25.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 61.03 111.074 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 m -67.94 170.0 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.877 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -42.52 70.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 75.23 110.876 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.69 167.39 14.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 72.3 112.449 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -129.79 -172.1 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 74.4 110.867 -179.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.2 ptp -167.14 154.17 8.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 63.52 110.836 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.83 85.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.3 111.089 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -114.65 30.62 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 74.55 110.88 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 56.17 25.58 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 75.53 110.872 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.13 -75.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.9 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mp 56.31 -177.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 73.22 110.943 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.76 76.04 0.91 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.759 . . . . 64.2 112.494 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HG2' ' H ' ' A' ' 32' ' ' ILE . 53.5 Cg_endo -69.77 -86.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 63.31 112.367 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' H ' ' HG2' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -164.03 147.5 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.23 111.139 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 178.83 151.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.118 179.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -38.39 51.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 72.33 112.507 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.88 -25.5 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 71.35 111.128 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.79 -29.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.152 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.85 99.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.914 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.826 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 pttt -62.8 -34.09 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 75.21 110.897 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.3 -41.97 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.112 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -58.82 -27.3 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.843 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.13 -20.38 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 74.53 111.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -29.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 74.4 111.058 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.3 -24.84 46.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 75.11 110.957 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.79 164.08 18.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 61.24 110.893 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 77.1 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 73.13 112.346 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -155.91 177.76 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.149 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -132.44 125.1 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.831 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -117.27 120.86 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.25 110.879 -179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -111.0 114.3 27.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 71.2 110.902 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.78 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.914 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 pt -127.37 114.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 74.44 111.139 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -110.91 126.01 54.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 64.55 110.881 179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -65.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.878 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.68 160.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.825 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -123.13 94.86 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.2 110.849 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -56.92 177.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.52 110.905 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -133.67 167.54 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 72.52 110.847 179.867 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 68.4 -78.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 72.24 111.053 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.76 -78.08 0.48 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 63.31 112.493 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -127.82 -38.84 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 74.23 110.89 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -167.37 58.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 75.11 110.892 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -126.58 155.7 42.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 71.52 111.073 179.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -173.91 111.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 75.43 110.866 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -155.15 35.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.872 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.36 -81.94 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 65.14 112.462 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 t 63.11 77.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.988 0.423 . . . . 70.22 110.854 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -55.58 -27.06 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 73.24 111.126 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 58.68 175.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.42 111.105 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.0 t -179.52 160.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.866 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.2 120.47 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 60.54 110.89 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.39 -47.13 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 75.12 111.127 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.54 38.38 1.01 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 54.34 112.549 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -101.17 -50.46 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 74.21 110.925 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.458 ' HA ' HD22 ' A' ' 110' ' ' LEU . 1.2 p 59.22 178.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 64.31 111.127 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.58 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.873 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -108.02 134.13 51.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 64.43 110.871 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -151.21 136.89 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 71.01 110.875 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -123.35 116.06 22.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.888 179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.49 150.56 40.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 73.03 110.877 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.1 124.81 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 75.03 111.162 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -119.66 114.88 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.42 111.145 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.12 104.22 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 71.12 110.882 -179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.85 6.26 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 75.15 110.839 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.61 80.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 63.2 111.097 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.79 91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.844 -179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -78.75 148.63 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.874 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.74 -30.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 55.45 112.465 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.2 pp -93.48 161.26 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 74.21 110.927 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -42.06 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 73.43 111.095 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -68.58 -34.86 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 74.32 110.954 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.7 m -59.96 -29.94 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.04 111.102 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.96 -44.04 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 71.42 110.911 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -47.66 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 72.13 110.844 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -59.86 -37.47 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.85 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -73.06 -38.38 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.9 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.93 -50.67 60.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.895 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.3 pt -77.97 -34.86 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 65.53 111.132 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 t80 46.05 49.26 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.925 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.9 -13.84 33.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 62.3 112.467 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.58 160.2 31.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 74.34 110.872 -179.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.5 tp 65.15 100.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.44 110.916 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.77 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.1 110.824 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.4 -39.79 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 64.33 110.891 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.57 -43.39 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.879 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -58.45 -31.82 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.885 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -27.84 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.93 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.5 -25.14 13.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.13 111.111 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.02 4.14 90.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 53.24 112.493 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.525 ' CD2' ' C ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -76.3 147.54 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 72.14 110.898 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -73.41 132.03 42.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.881 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.51 162.81 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.091 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.36 151.19 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 74.44 110.943 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.67 140.98 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 70.22 111.071 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.5 mtp -143.11 119.5 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 73.24 110.852 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.5 t -128.33 113.45 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 63.51 111.143 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.33 109.85 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 74.04 111.137 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -133.64 141.89 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.924 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.2 133.91 59.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.574 0.702 . . . . 64.45 111.149 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.46 30.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 72.23 112.35 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.97 -18.19 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.04 111.123 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.05 117.81 33.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 74.54 110.842 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 70.04 110.945 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' O ' HG12 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.843 0.354 . . . . 73.209999999999994 111.103 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.67 83.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 63.130000000000003 112.471 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.675 ' HB1' HD13 ' A' ' 51' ' ' LEU . . . -63.84 -37.43 87.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 74.200000000000003 111.113 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -50.5 -31.15 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 111.127 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.52 99.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.510000000000005 110.847 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.63 ' OG ' HD12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -65.24 -43.7 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 61.310000000000002 110.873 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' A' ' 51' ' ' LEU . 4.3 mtmm -62.04 -40.64 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 70.219999999999999 110.938 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.0 t -55.07 -42.68 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 54.030000000000001 111.098 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -56.71 -27.16 58.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.859 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.62 -17.81 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.450000000000003 111.083 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.87 44.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 62.439999999999998 111.115 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.02 -20.49 39.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 54.039999999999999 110.921 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.59 164.41 15.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.68 0.752 . . . . 73.030000000000001 110.861 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.69 21.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 35.450000000000003 112.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -60.95 175.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 64.319999999999993 111.142 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -129.36 145.99 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.884 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.647 ' HE2' HD13 ' A' ' 98' ' ' ILE . 13.4 m-85 -132.02 121.3 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 70.329999999999998 110.881 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 70.5 110.906 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.675 HD13 ' HB1' ' A' ' 35' ' ' ALA . 5.2 tt -126.42 123.46 37.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.909 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.63 117.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 65.140000000000001 111.138 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -111.94 122.24 47.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 71.340000000000003 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.76 -44.03 5.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.420000000000002 110.929 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.68 155.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 70.239999999999995 110.85 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 75.409999999999997 110.854 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.84 0.352 . . . . 74.230000000000004 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.93 -14.44 8.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 72.239999999999995 110.83 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.447 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 51.2 t80 -114.39 135.18 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.319999999999993 110.852 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -147.67 142.88 27.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 75.450000000000003 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 51' ' ' LEU . 3.0 tm? -128.86 118.55 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 73.230000000000004 110.921 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -126.9 154.72 44.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 64.349999999999994 110.892 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.465 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.5 OUTLIER -144.54 133.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 70.510000000000005 111.099 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -119.97 114.7 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 61.310000000000002 111.154 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.21 103.88 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 74.230000000000004 110.838 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 68.0 6.32 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 74.340000000000003 110.914 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.1 79.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.540000000000006 111.139 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.7 83.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 74.329999999999998 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 138.48 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.430000000000007 110.891 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.63 -54.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 71.519999999999996 112.48 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -73.94 161.35 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 73.400000000000006 110.959 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.503 ' C ' HD22 ' A' ' 89' ' ' LEU . 34.1 p -46.37 100.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.150000000000006 111.132 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.536 ' HB2' HG23 ' A' ' 116' ' ' THR . 2.0 pt? -52.62 -31.73 38.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 74.439999999999998 110.928 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.451 ' H ' HD23 ' A' ' 91' ' ' LEU . 18.2 m -57.39 -20.88 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 73.129999999999995 111.119 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -49.26 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.882 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.523 ' HB2' HG21 ' A' ' 116' ' ' THR . 26.5 mmm180 -60.78 -47.46 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 61.439999999999998 110.922 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.411 ' NE2' HG22 ' A' ' 116' ' ' THR . 22.1 m-70 -60.7 -44.55 96.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 65.219999999999999 110.88 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.11 -32.47 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 110.936 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.72 -50.54 73.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.310000000000002 110.872 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.647 HD13 ' HE2' ' A' ' 49' ' ' PHE . 28.5 pt -83.66 -22.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 111.118 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ILE . 24.3 p90 37.56 55.26 1.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.961 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.78 -37.72 3.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 42.299999999999997 112.472 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.917 HD21 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -53.69 158.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 72.340000000000003 110.913 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp 65.52 37.03 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 73.140000000000001 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.2 p -116.46 -79.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 61.530000000000001 110.847 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.34 -25.31 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 54.119999999999997 110.86 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -35.71 75.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.851 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.3 -34.47 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.420000000000002 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.91 -24.98 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.99 23.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 53.439999999999998 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.33 -5.23 38.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 51.25 112.478 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.81 144.99 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 71.310000000000002 110.931 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -49.17 168.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.239999999999995 110.851 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -137.59 161.99 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 111.11 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.25 137.59 53.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.340000000000003 110.927 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.917 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -137.8 143.47 41.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 73.120000000000005 111.113 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.7 mtt -142.86 119.81 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.450000000000003 110.835 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 91' ' ' LEU . 5.6 t -118.48 124.18 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 61.210000000000001 111.122 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -120.52 117.33 27.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 52.020000000000003 111.145 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.87 147.98 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 65.319999999999993 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 84' ' ' ASP . 1.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 73.129999999999995 111.114 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.853 0.359 . . . . 54.020000000000003 111.11 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.01 -40.63 66.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 43.140000000000001 112.557 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.28 -26.62 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 72.120000000000005 111.087 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.725 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.1 tt -51.97 -32.0 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 73.140000000000001 111.097 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -66.84 -37.2 84.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 64.200000000000003 110.872 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 m -65.08 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 63.149999999999999 110.813 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 2.8 ptmt -63.73 -33.67 76.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 43.030000000000001 110.946 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 36' ' ' ILE . 41.8 t -59.48 -42.22 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 72.140000000000001 111.124 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -26.69 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.030000000000001 110.877 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.26 -21.6 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 71.420000000000002 111.172 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -61.17 -23.47 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 31.23 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.46 -19.74 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 55.409999999999997 110.906 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.66 157.9 36.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.656 0.741 . . . . 73.239999999999995 110.868 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 77.74 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 70.150000000000006 112.369 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.4 ' HG1' ' H ' ' A' ' 48' ' ' HIS . 12.5 t -152.86 -171.39 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 53.140000000000001 111.162 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.4 ' H ' ' HG1' ' A' ' 47' ' ' THR . 3.5 t60 -128.39 146.28 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 73.510000000000005 110.833 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 8.2 p90 -133.92 133.41 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 74.310000000000002 110.872 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.56 115.63 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 73.129999999999995 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -126.29 120.32 29.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 61.030000000000001 110.927 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.505 HD11 ' CD ' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.24 116.91 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 111.098 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -108.83 122.74 47.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.519999999999996 110.859 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.95 -45.5 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 43.219999999999999 110.866 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.86 -169.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 42.32 110.9 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 110.851 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.518 HG21 HD23 ' A' ' 113' ' ' LEU . 1.2 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.865 0.364 . . . . 73.209999999999994 111.135 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -124.92 -29.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.509999999999998 110.858 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 51' ' ' LEU . 19.0 t80 -112.42 138.0 49.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 74.200000000000003 110.924 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.505 ' CD ' HD11 ' A' ' 52' ' ' ILE . 2.2 ptm180 -147.15 141.93 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.409999999999997 110.898 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.931 HD23 HD12 ' A' ' 51' ' ' LEU . 3.3 tm? -131.33 123.7 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.310000000000002 110.877 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.85 140.52 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 50.140000000000001 110.842 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 ' HD3' ' A' ' 94' ' ' ARG . 3.5 m -124.58 139.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 73.120000000000005 111.144 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -120.09 114.48 22.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 111.141 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.93 105.56 14.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 53.229999999999997 110.852 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.38 6.9 5.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 62.020000000000003 110.846 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.92 77.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 42.240000000000002 111.073 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.484 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER 178.54 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 73.019999999999996 110.861 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.59 141.06 55.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 110.82 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.6 -40.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 70.439999999999998 112.491 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.96 160.61 14.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 71.549999999999997 110.901 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.777 ' OG1' HG22 ' A' ' 92' ' ' VAL . 9.0 t -43.61 124.81 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.319999999999993 111.191 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.9 pt? -71.92 -27.35 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 110.919 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.777 HG22 ' OG1' ' A' ' 90' ' ' THR . 4.0 m -60.53 -18.14 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 73.120000000000005 111.131 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -50.26 65.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 65.540000000000006 110.893 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.491 ' HD3' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -68.19 -47.96 66.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 110.883 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -59.08 -34.97 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.855 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.36 -34.51 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 110.938 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 94' ' ' ARG . 26.0 mt -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.200000000000003 110.905 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.7 pt -81.84 -31.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 63.119999999999997 111.149 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.0 p90 38.82 41.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 65.109999999999999 110.926 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -83.81 -32.16 24.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 64.319999999999993 112.508 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -51.23 161.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 72.420000000000002 110.874 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.1 tp 63.85 91.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 72.120000000000005 110.891 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.43 -74.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.812 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -72.29 -40.86 67.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.530000000000001 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.48 -31.51 46.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 73.200000000000003 110.852 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -39.97 92.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 71.450000000000003 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -59.6 -20.38 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.936 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.422 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -101.88 -38.9 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.120000000000005 111.118 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.14 11.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 65.230000000000004 112.514 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 110' ' ' LEU . 1.2 mm? -114.51 140.08 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 65.25 110.925 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.884 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.44 161.0 38.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 52.409999999999997 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.518 HD23 HG21 ' A' ' 75' ' ' THR . 0.2 OUTLIER -125.76 150.88 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 61.109999999999999 110.912 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.629 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -136.65 128.26 28.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.519999999999996 111.146 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.423 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.8 mtt -142.36 118.92 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 75.310000000000002 110.897 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 81' ' ' VAL . 7.5 p -121.25 126.35 49.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 72.109999999999999 111.167 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.62 109.62 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 111.138 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 146.18 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 110.859 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.484 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 75.230000000000004 111.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB1' ' HB2' ' A' ' 104' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.786 0.327 . . . . 73.310000000000002 111.096 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.61 -37.72 50.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 74.319999999999993 112.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.533 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.21 -25.84 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 71.230000000000004 111.099 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -51.45 -31.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.299999999999997 111.087 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -37.73 86.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 53.109999999999999 110.9 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.5 m -64.87 -48.1 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.040000000000006 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.430000000000007 110.902 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 36' ' ' ILE . 37.4 t -60.66 -42.33 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 111.119 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.0 -33.83 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.329999999999998 110.877 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HB1' HH12 ' A' ' 94' ' ' ARG . . . -70.72 -19.92 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 62.310000000000002 111.093 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.52 -29.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.26 -20.18 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 71.519999999999996 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.0 164.46 15.48 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.679 0.752 . . . . 75.140000000000001 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -14.4 35.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 53.130000000000003 112.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.686 HG21 ' NH1' ' A' ' 94' ' ' ARG . 12.9 t -59.23 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 65.439999999999998 111.109 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -128.7 139.97 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 55.030000000000001 110.888 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -123.32 133.16 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 63.439999999999998 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.6 114.99 18.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 72.299999999999997 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.088 HD12 HD23 ' A' ' 79' ' ' LEU . 4.0 tt -126.67 120.12 28.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 65.040000000000006 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.2 pp -126.77 116.11 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 63.119999999999997 111.151 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.76 122.02 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 63.420000000000002 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 -33.71 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.857 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.2 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 72.329999999999998 110.843 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.4 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 110.869 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.427 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.819 0.343 . . . . 73.420000000000002 111.14 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -122.09 -23.88 5.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.811 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -112.91 140.68 47.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 72.129999999999995 110.891 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 52' ' ' ILE . 2.1 ptm180 -147.71 140.18 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 51.329999999999998 110.855 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.088 HD23 HD12 ' A' ' 51' ' ' LEU . 2.0 tm? -128.72 118.36 22.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 70.439999999999998 110.933 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -133.33 138.85 46.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 110.912 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.34 135.25 63.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.319999999999993 111.093 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.412 ' HA ' HG23 ' A' ' 117' ' ' THR . 73.3 m -118.61 114.26 22.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 65.230000000000004 111.159 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.61 107.83 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.894 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.65 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER 68.75 4.08 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 73.219999999999999 110.862 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.83 81.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.030000000000001 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -176.73 57.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 63.219999999999999 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 145.39 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.200000000000003 110.857 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.57 -90.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 53.539999999999999 112.501 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.43 160.29 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 74.319999999999993 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 p 58.11 33.29 23.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 111.147 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -72.27 -34.4 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 64.329999999999998 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.25 -24.26 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 63.200000000000003 111.147 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.425 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 2.1 tttm -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.230000000000004 110.914 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.686 ' NH1' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -66.78 -48.97 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 70.420000000000002 110.883 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.8 -38.11 86.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 53.100000000000001 110.888 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.21 -38.04 63.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 72.209999999999994 110.92 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.425 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.7 mt -51.77 -50.53 60.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.200000000000003 110.921 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.424 HD12 HD11 ' A' ' 79' ' ' LEU . 10.0 pt -77.94 -40.58 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 64.299999999999997 111.107 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.7 t80 44.58 58.5 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.530000000000001 110.885 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.56 -35.22 4.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 72.400000000000006 112.499 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 112' ' ' ALA . 35.4 tp -50.69 158.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 52.130000000000003 110.931 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.38 87.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 70.540000000000006 110.924 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.35 -77.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 55.299999999999997 110.84 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.562 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 26.3 t0 -78.6 -32.84 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.340000000000003 110.85 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.81 -31.27 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 62.219999999999999 110.875 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -63.09 -42.17 99.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.530000000000001 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -61.95 -18.28 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.83 -38.62 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 53.240000000000002 111.079 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.21 -7.06 40.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 52.020000000000003 112.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.35 143.09 48.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 71.049999999999997 110.906 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.99 177.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.831 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.596 ' HB3' HD11 ' A' ' 101' ' ' LEU . . . -130.94 161.06 32.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 63.43 111.049 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 75' ' ' THR . 0.7 OUTLIER -122.51 128.94 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 65.549999999999997 110.921 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.0 140.14 45.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 62.229999999999997 111.117 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.11 120.5 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.239999999999995 110.887 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.2 t -107.57 129.18 55.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 63.219999999999999 111.143 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.412 HG23 ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -120.96 107.63 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 52.229999999999997 111.17 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.4 144.36 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 110.852 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 84' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 72.230000000000004 111.157 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.783 0.325 . . . . 71.450000000000003 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -39.68 96.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 70.299999999999997 112.495 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.23 65.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 73.519999999999996 111.138 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -50.95 -30.69 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.549999999999997 111.125 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 61.100000000000001 110.877 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -65.03 -48.05 75.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 63.119999999999997 110.89 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -63.31 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.239999999999995 110.913 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 36' ' ' ILE . 30.8 t -61.65 -40.45 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 61.520000000000003 111.096 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.13 -32.72 66.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.510000000000005 110.842 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.28 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 54.310000000000002 111.102 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -59.61 -22.08 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 72.450000000000003 111.055 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.53 -19.97 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.310000000000002 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.471 ' OG ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -108.12 164.41 14.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 64.340000000000003 110.866 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -5.97 17.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.696 2.264 . . . . 72.340000000000003 112.353 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.471 HG22 ' OG ' ' A' ' 45' ' ' SER . 13.4 t -57.75 -175.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 71.040000000000006 111.169 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.407 ' H ' ' HG1' ' A' ' 47' ' ' THR . 4.7 t-80 -128.53 129.2 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.409999999999997 110.873 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 13.2 p90 -122.39 127.4 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.847 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.88 114.79 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 74.310000000000002 110.901 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.653 HD12 HD23 ' A' ' 79' ' ' LEU . 1.3 tt -126.79 120.38 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 52.030000000000001 110.877 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.74 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.08 114.06 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 55.539999999999999 111.123 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.92 123.12 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 72.150000000000006 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -37.74 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.25 110.818 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' A' ' 108' ' ' ALA . 5.8 t 50.69 -168.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.875 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 60.109999999999999 110.883 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.794 HG21 HD21 ' A' ' 113' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.851 0.358 . . . . 74.230000000000004 111.142 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -129.34 -32.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.866 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -112.87 134.02 54.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.74 ' HD2' HD11 ' A' ' 52' ' ' ILE . 1.9 ptm180 -149.61 143.24 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 73.230000000000004 110.878 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 51' ' ' LEU . 3.3 tm? -130.54 118.08 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.911 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.01 141.45 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 73.420000000000002 110.825 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -136.25 126.15 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 72.329999999999998 111.167 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -119.83 114.06 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 111.121 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.329999999999998 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.68 7.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.010000000000005 110.84 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.19 77.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 64.540000000000006 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.511 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 177.77 86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 62.240000000000002 110.862 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.56 143.56 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 110.873 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.67 -42.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 64.239999999999995 112.483 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.23 161.41 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 71.319999999999993 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.9 t -41.51 127.28 3.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 71.019999999999996 111.135 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.542 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.1 pt? -71.75 -24.64 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.901 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.693 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.0 m -55.86 -26.88 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 61.119999999999997 111.117 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 5.8 tmtm? -69.18 -50.76 44.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.540000000000006 110.857 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -47.95 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 110.852 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.91 -36.63 77.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 73.540000000000006 110.87 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -73.59 -37.31 65.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.230000000000004 110.933 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.466 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.7 mt -52.56 -51.71 58.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.914 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.1 pt -79.22 -40.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 64.030000000000001 111.137 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 t80 41.5 59.05 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 63.200000000000003 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.44 -37.14 3.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 60.149999999999999 112.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 162.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 71.409999999999997 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.81 99.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 62.039999999999999 110.904 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.85 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 63.329999999999998 110.858 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.19 -40.58 30.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 72.200000000000003 110.893 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 110.883 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.27 -48.09 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 61.149999999999999 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -59.17 -19.7 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.140000000000001 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.77 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -89.21 -58.22 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.310000000000002 111.074 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 106.82 19.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 74.420000000000002 112.503 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.77 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 0.6 OUTLIER -112.28 140.53 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 64.340000000000003 110.918 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.9 166.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.834 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.599 ' C ' HD23 ' A' ' 113' ' ' LEU . . . -141.07 162.69 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 43.539999999999999 111.101 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.794 HD21 HG21 ' A' ' 75' ' ' THR . 0.8 OUTLIER -121.24 149.62 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.200000000000003 110.944 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.21 118.57 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.239999999999995 111.07 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.3 mtp -142.31 118.94 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.209999999999994 110.882 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.472 ' CB ' HG13 ' A' ' 81' ' ' VAL . 5.3 t -128.53 116.25 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.149 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 t -121.31 108.3 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 54.539999999999999 111.136 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -124.29 149.95 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.109999999999999 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.575 0.703 . . . . 74.409999999999997 111.144 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.867 0.365 . . . . 74.439999999999998 111.114 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.46 -39.0 52.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.130000000000003 112.486 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.45 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.309 . . . . 54.210000000000001 111.095 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -51.78 -32.85 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 65.099999999999994 111.131 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -42.01 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 110.877 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -64.74 -43.56 92.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.509999999999998 110.836 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -33.94 75.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 70.5 110.868 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.17 -42.24 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.450000000000003 111.102 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.68 ' O ' HD22 ' A' ' 44' ' ' LEU . 34.0 mm-40 -55.17 -30.91 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.510000000000005 110.92 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.37 -23.88 27.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 63.140000000000001 111.06 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.92 -34.29 77.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 70.420000000000002 111.075 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -60.57 -18.22 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 73.209999999999994 110.877 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.652 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -103.36 161.8 21.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.686 0.755 . . . . 73.439999999999998 110.857 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 95.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 75.230000000000004 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -176.21 -167.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.129999999999995 111.091 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 143.77 51.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.530000000000001 110.841 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -133.43 128.63 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 73.439999999999998 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -127.52 113.21 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.230000000000004 110.933 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.871 HD12 HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -128.06 119.42 25.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.530000000000001 110.92 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.33 115.61 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.092 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -110.76 123.43 50.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 72.549999999999997 110.932 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.74 38.81 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -46.55 152.92 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 44.109999999999999 110.855 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.7 t60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.109999999999999 110.844 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.88 0.371 . . . . 53.109999999999999 111.128 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 110' ' ' LEU . 23.5 p80 -175.76 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.863 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.401 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 53.4 t80 -106.59 133.77 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.905 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -148.82 143.88 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 72.239999999999995 110.879 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.871 HD23 HD12 ' A' ' 51' ' ' LEU . 3.4 tm? -131.78 118.76 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.129999999999995 110.928 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 142.69 49.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 62.219999999999999 110.912 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 94' ' ' ARG . 3.4 m -128.96 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 61.439999999999998 111.188 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.455 ' HA ' HG23 ' A' ' 117' ' ' THR . 20.8 m -120.51 113.51 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.040000000000006 111.115 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.22 107.74 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.843 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.86 6.47 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.219999999999999 110.876 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.71 82.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 71.109999999999999 111.1 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.409 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 179.86 80.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.837 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 130.84 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.239999999999995 110.876 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.98 -62.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 44.130000000000003 112.471 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.53 160.19 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 53.329999999999998 110.902 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.734 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.0 t -45.87 127.74 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 73.219999999999999 111.16 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -71.81 -32.95 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.140000000000001 110.933 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.734 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.8 m -56.99 -22.18 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.549999999999997 111.115 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.409 ' CB ' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -66.87 -49.05 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 72.120000000000005 110.888 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.52 ' HG2' HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -67.2 -48.6 67.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 72.230000000000004 110.876 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.533 ' HD2' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.07 -30.04 70.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.795 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.94 -45.28 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 54.509999999999998 110.924 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.3 mt -52.83 -50.21 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 52.439999999999998 110.937 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 25.4 pt -82.22 -25.07 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 55.509999999999998 111.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.6 p90 37.93 43.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 63.210000000000001 110.941 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.41 -24.67 62.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 64.510000000000005 112.528 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' CB ' ' A' ' 114' ' ' ALA . 7.2 mp -58.1 155.71 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 73.010000000000005 110.894 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.57 105.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 65.420000000000002 110.861 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.42 -74.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 42.399999999999999 110.852 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -77.32 -41.66 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 71.230000000000004 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.4 ' HA ' ' CE1' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -54.1 -30.58 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 70.120000000000005 110.917 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -62.97 -27.95 69.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 74.519999999999996 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -79.5 -19.52 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 75.329999999999998 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -94.73 -45.19 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.030000000000001 111.079 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.563 ' O ' HD13 ' A' ' 110' ' ' LEU . . . 105.7 18.56 11.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 71.299999999999997 112.482 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 76' ' ' HIS . 0.4 OUTLIER -121.32 137.09 54.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 74.319999999999993 110.937 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.18 179.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.549999999999997 110.918 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -147.56 161.19 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 63.450000000000003 111.123 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.57 146.91 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.109999999999999 110.9 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.645 ' CB ' HD21 ' A' ' 101' ' ' LEU . . . -141.58 143.5 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 63.140000000000001 111.123 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.405 ' HA ' HD12 ' A' ' 91' ' ' LEU . 8.7 mtm -142.47 120.11 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.924 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.45 ' HB ' HG22 ' A' ' 81' ' ' VAL . 10.7 p -116.03 125.48 52.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 55.399999999999999 111.124 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.455 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.8 t -120.22 109.81 15.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 73.530000000000001 111.098 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.82 144.92 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 61.520000000000003 110.899 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.409 HG23 ' HB2' ' A' ' 86' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 52.200000000000003 111.17 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.832 0.348 . . . . 62.32 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -37.63 50.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 61.240000000000002 112.492 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.27 -26.51 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 72.120000000000005 111.112 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -51.81 -31.55 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.219999999999999 111.147 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -62.97 -40.69 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.540000000000006 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -64.88 -45.28 86.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 110.848 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.22 -33.69 76.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.230000000000004 110.936 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.4 t -62.22 -38.56 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 111.085 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -26.93 68.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.39 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 65.409999999999997 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -60.76 -26.33 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 74.540000000000006 111.116 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.65 -26.94 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 61.399999999999999 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.42 160.48 26.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.693 0.758 . . . . 72.319999999999993 110.848 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.652 2.235 . . . . 63.130000000000003 112.336 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -175.9 -171.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 111.142 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -128.1 143.19 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 74.040000000000006 110.872 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 6.1 p90 -132.39 129.16 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.530000000000001 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 111.76 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 73.209999999999994 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tt -129.08 116.52 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 64.209999999999994 110.916 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.15 114.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 65.409999999999997 111.136 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.448 ' H ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -114.07 100.69 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 45.219999999999999 110.92 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -36.03 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 110.874 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.36 159.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.839 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 74.439999999999998 110.854 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.438 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.834 0.35 . . . . 61.130000000000003 111.118 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.24 -14.46 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.109999999999999 110.899 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.433 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 8.5 t80 -112.55 136.13 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 61.509999999999998 110.845 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -146.69 143.02 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.299999999999997 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.4 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -132.91 118.38 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.140000000000001 110.939 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.56 143.41 41.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.519999999999996 110.905 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.526 HG22 ' HB ' ' A' ' 116' ' ' THR . 3.5 m -131.19 137.7 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.32 111.103 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.4 ' HA ' HG23 ' A' ' 117' ' ' THR . 8.8 m -120.18 113.48 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 73.530000000000001 111.169 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.11 104.6 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 110.859 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.73 7.0 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 73.409999999999997 110.846 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.34 84.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 53.43 111.105 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.837 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.6 86.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 41.240000000000002 110.863 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 136.16 45.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 73.030000000000001 110.919 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -159.85 -40.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.801 -0.714 . . . . 74.150000000000006 112.499 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.616 HD21 ' HD3' ' A' ' 118' ' ' LYS . 4.6 pp -94.7 159.97 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 71.099999999999994 110.911 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.55 ' HB ' HG22 ' A' ' 92' ' ' VAL . 44.4 p -48.28 106.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 111.154 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -53.26 -28.76 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 72.329999999999998 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.55 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.0 m -58.22 -22.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 72.299999999999997 111.115 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -49.65 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.859 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.518 ' HG2' HG21 ' A' ' 81' ' ' VAL . 10.2 tpt180 -66.16 -47.89 72.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 72.120000000000005 110.822 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -34.08 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 110.828 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -73.58 -33.44 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 61.450000000000003 110.927 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.71 -51.67 67.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.3 pt -83.01 -26.58 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.409999999999997 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.3 p90 38.5 46.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 74.099999999999994 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.49 -37.25 53.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 52.530000000000001 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 114' ' ' ALA . 1.3 mp -57.02 174.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 75.409999999999997 110.923 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 62.46 84.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 65.209999999999994 110.909 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.97 -75.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.875 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.15 -34.23 49.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.010000000000005 110.89 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -38.19 66.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 70.120000000000005 110.889 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -59.17 -32.35 69.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.209999999999994 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -74.1 -19.49 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.040000000000006 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.81 -46.09 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 71.329999999999998 111.094 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.15 -6.98 40.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 74.200000000000003 112.447 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.736 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.87 143.09 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 71.430000000000007 110.92 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 174.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 63.329999999999998 110.844 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -134.78 162.77 31.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.530000000000001 111.062 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 138.1 54.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.010000000000005 110.905 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -135.24 137.23 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 62.140000000000001 111.16 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.2 mtm -142.35 119.81 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 51.399999999999999 110.915 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 81' ' ' VAL . 1.7 p -115.92 125.17 52.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 72.430000000000007 111.145 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.7 t -120.33 109.84 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.099999999999994 111.141 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.616 ' HD3' HD21 ' A' ' 89' ' ' LEU . 11.0 tmtt? -139.83 140.51 36.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.863 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.837 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.581 0.705 . . . . 64.219999999999999 111.14 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' ILE . . . . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.867 0.365 . . . . 63.439999999999998 111.125 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -31.51 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.8 -0.714 . . . . 44.229999999999997 112.469 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 51' ' ' LEU . . . -63.64 -40.58 97.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 74.540000000000006 111.119 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -51.51 -31.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 70.25 111.136 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -62.18 -44.07 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 70.219999999999999 110.913 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -41.28 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.310000000000002 110.88 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -43.35 98.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.120000000000005 110.931 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 36' ' ' ILE . 59.0 t -56.43 -42.03 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 111.112 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.759 ' O ' HD22 ' A' ' 44' ' ' LEU . 14.4 tp10 -56.19 -27.56 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.049999999999997 110.883 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.53 -28.5 14.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 72.310000000000002 111.101 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -62.3 -23.21 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 74.019999999999996 111.1 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.759 HD22 ' O ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -60.91 -17.33 50.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 74.329999999999998 110.944 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.662 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -114.79 162.5 23.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 64.040000000000006 110.841 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 96.14 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 62.25 112.321 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.645 HG21 HH22 ' A' ' 94' ' ' ARG . 12.8 t -170.77 -171.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 70.209999999999994 111.133 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -128.12 146.44 50.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.109999999999999 110.852 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 12.0 p90 -136.55 119.75 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 61.149999999999999 110.889 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -115.12 114.85 25.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.219999999999999 110.894 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.794 HD12 HD23 ' A' ' 79' ' ' LEU . 1.7 tt -125.38 122.14 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 64.329999999999998 110.905 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.36 116.59 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 111.118 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -107.15 123.5 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 62.210000000000001 110.873 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.43 28.04 8.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.888 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -47.14 161.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 52.329999999999998 110.84 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.0 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 51.350000000000001 110.891 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.863 0.363 . . . . 71.230000000000004 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -173.8 -29.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 54.350000000000001 110.831 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.592 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 25.5 t80 -107.93 137.71 45.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 60.399999999999999 110.84 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 52' ' ' ILE . 2.9 ptm180 -147.88 142.61 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 110.895 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.794 HD23 HD12 ' A' ' 51' ' ' LEU . 3.5 tm? -129.78 123.39 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 41.420000000000002 110.941 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -142.26 134.73 27.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 75.420000000000002 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.574 HG21 ' HE ' ' A' ' 94' ' ' ARG . 3.9 m -120.36 140.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 111.151 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.411 ' HA ' HG23 ' A' ' 117' ' ' THR . 55.9 m -119.82 114.46 22.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 63.310000000000002 111.114 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.39 104.9 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 60.549999999999997 110.86 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.08 7.37 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.400000000000006 110.847 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.0 79.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 178.8 89.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.439999999999998 110.881 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -70.78 132.49 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 71.400000000000006 110.92 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.03 -39.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 71.239999999999995 112.475 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.88 159.71 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.371 . . . . 64.209999999999994 110.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.494 ' HB ' HG22 ' A' ' 92' ' ' VAL . 34.1 p -48.15 108.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.140000000000001 111.144 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -54.08 -29.64 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 72.409999999999997 110.892 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.494 HG22 ' HB ' ' A' ' 90' ' ' THR . 18.2 m -59.63 -19.14 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 63.409999999999997 111.128 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -49.91 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 110.928 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.645 HH22 HG21 ' A' ' 47' ' ' THR . 19.2 mmm180 -66.79 -47.67 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 52.450000000000003 110.872 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.69 -34.97 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.120000000000005 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -73.79 -33.21 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 110.921 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.21 -52.01 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.883 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 99' ' ' TYR . 32.1 pt -83.76 -23.91 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 111.121 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ILE . 30.3 p90 37.16 50.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 60.329999999999998 110.945 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.95 -37.28 8.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 71.340000000000003 112.483 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.106 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.5 OUTLIER -55.17 160.29 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.348 . . . . 73.319999999999993 110.945 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.68 23.46 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 m -100.89 -82.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 74.209999999999994 110.887 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.89 -23.06 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 64.340000000000003 110.818 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' A' ' 112' ' ' ALA . 1.0 OUTLIER -55.89 -47.48 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 63.450000000000003 110.905 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -25.69 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 71.329999999999998 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -32.56 73.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.849 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.703 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -74.83 -43.45 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.439999999999998 111.092 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.83 3.18 30.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 54.450000000000003 112.498 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.725 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -121.88 142.93 49.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 65.409999999999997 110.907 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 179.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.66 ' HB2' ' HG3' ' A' ' 105' ' ' GLU . . . -150.33 162.57 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 62.509999999999998 111.093 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.86 151.29 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 64.439999999999998 110.968 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 1.106 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -143.78 139.02 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 51.43 111.07 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.519 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.7 mtp -143.0 118.97 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 53.539999999999999 110.819 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' VAL . 1.9 p -113.68 128.24 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 74.430000000000007 111.128 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.411 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.8 t -121.29 109.75 15.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 75.310000000000002 111.171 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -137.33 141.88 41.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 63.310000000000002 110.904 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.608 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 70.109999999999999 111.161 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.474 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.861 0.362 . . . . 75.209999999999994 111.082 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.34 -40.18 97.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.759 . . . . 72.099999999999994 112.517 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.707 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.32 -27.27 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 71.040000000000006 111.074 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.71 -33.12 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 63.530000000000001 111.111 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 61.149999999999999 110.918 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 m -62.5 -47.88 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 75.150000000000006 110.894 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -66.76 -30.18 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 73.409999999999997 110.891 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.6 t -58.96 -38.46 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.530000000000001 111.142 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.05 -27.2 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 75.230000000000004 110.873 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.26 -19.57 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 61.200000000000003 111.061 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.48 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 72.349999999999994 111.084 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 mt -60.77 -18.28 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 71.540000000000006 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.17 160.7 42.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.658 0.742 . . . . 63.149999999999999 110.819 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 106.37 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.692 2.261 . . . . 72.510000000000005 112.367 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -174.21 -177.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 65.409999999999997 111.131 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -128.25 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.400000000000006 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.421 ' HB2' ' HD3' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 75.109999999999999 110.83 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' N ' ' HZ2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -132.52 124.59 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.86 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 35' ' ' ALA . 2.9 tt -126.39 118.4 24.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 70.140000000000001 110.883 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.522 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.9 pp -127.12 117.95 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 64.540000000000006 111.137 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.407 ' HB3' ' HB2' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -111.31 123.16 49.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 63.520000000000003 110.838 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -52.74 10.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 53.350000000000001 110.89 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.26 -168.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 73.329999999999998 110.901 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.864 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.811 0.339 . . . . 74.140000000000001 111.184 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.69 -38.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 110.852 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.542 ' HE2' HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -111.08 144.06 40.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.129999999999995 110.865 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.522 ' HD2' HD11 ' A' ' 52' ' ' ILE . 5.3 ptm180 -141.21 138.05 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.885 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.82 118.33 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 65.040000000000006 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.34 140.28 53.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 70.340000000000003 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -143.58 125.46 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 61.009999999999998 111.114 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.1 m -120.24 114.75 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 71.430000000000007 111.159 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.91 104.93 13.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 61.340000000000003 110.909 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.59 7.16 5.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 75.299999999999997 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.59 80.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 70.120000000000005 111.086 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.79 92.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 61.200000000000003 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 124.26 24.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.409999999999997 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.64 -64.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 75.340000000000003 112.474 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 118' ' ' LYS . 4.5 pp -76.35 159.14 30.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 65.549999999999997 110.9 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.594 ' HB ' HG22 ' A' ' 92' ' ' VAL . 31.2 p -50.5 110.6 0.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 111.157 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.474 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.4 pt? -55.77 -25.9 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 110.892 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.594 HG22 ' HB ' ' A' ' 90' ' ' THR . 33.9 m -56.73 -28.1 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.019999999999996 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -49.93 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 75.030000000000001 110.881 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.519 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -65.97 -46.65 77.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.450000000000003 110.89 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -62.53 -32.85 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 42.520000000000003 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.86 -32.54 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.349999999999994 110.915 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 94' ' ' ARG . 29.2 mt -62.04 -52.59 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 50.329999999999998 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.4 pt -82.34 -32.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 73.140000000000001 111.099 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.5 p90 39.49 41.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.893 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.63 -33.01 63.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.732 . . . . 63.340000000000003 112.485 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.542 HD12 ' HE2' ' A' ' 77' ' ' PHE . 21.6 tp -54.41 152.78 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 73.109999999999999 110.87 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' ' 101' ' ' LEU . 8.3 tp 67.57 91.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.049999999999997 110.907 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -172.08 -72.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 44.039999999999999 110.857 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.49 -40.76 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 73.120000000000005 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.02 -30.55 36.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 72.099999999999994 110.872 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.230000000000004 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -59.35 -22.33 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 110.898 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.451 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -99.8 -39.66 8.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.25 111.083 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.527 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 104.86 19.5 10.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.319999999999993 112.517 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.8 OUTLIER -117.51 140.67 49.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 74.540000000000006 110.919 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -170.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 71.319999999999993 110.894 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.445 ' HB3' HD11 ' A' ' 101' ' ' LEU . . . -162.07 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 52.219999999999999 111.146 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.403 HD11 ' HE ' ' A' ' 78' ' ' ARG . 1.1 pp -122.42 149.96 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 72.349999999999994 110.927 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -138.29 132.14 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 111.08 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.52 120.87 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.400000000000006 110.888 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.446 ' CB ' HG13 ' A' ' 81' ' ' VAL . 9.7 t -126.81 124.97 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.310000000000002 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -120.71 110.1 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 55.409999999999997 111.185 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.66 ' HD2' HD21 ' A' ' 89' ' ' LEU . 1.5 tmmm? -126.7 143.46 51.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.439999999999998 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 52.149999999999999 111.146 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.853 0.359 . . . . 72.129999999999995 111.111 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.14 83.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 75.109999999999999 112.452 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 51' ' ' LEU . . . -64.39 -43.04 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 74.140000000000001 111.126 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -52.85 -27.24 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.349999999999994 111.147 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.4 mmpm? -62.94 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.903 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 m -66.68 -40.79 88.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 75.329999999999998 110.862 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HD3' ' HB3' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -61.6 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 63.43 110.878 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.1 t -57.25 -39.99 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.430000000000007 111.13 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -57.77 -26.21 61.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 110.88 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . . . -89.14 -21.7 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 42.420000000000002 111.13 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.35 -22.74 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 111.07 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.38 -20.85 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 54.340000000000003 110.931 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.59 160.68 33.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 31.52 110.864 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 64.209999999999994 112.349 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -175.88 -179.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.5 111.163 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -128.5 124.93 37.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.888 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -114.57 126.44 54.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 110.9 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -123.51 113.93 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 62.200000000000003 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.503 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 7.0 tt -126.24 125.89 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 62.409999999999997 110.895 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.617 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -125.09 111.29 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 73.420000000000002 111.141 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -114.11 124.09 51.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.329999999999998 110.881 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -89.07 -15.51 33.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 60.140000000000001 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.46 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.310000000000002 110.887 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.839 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.847 0.356 . . . . 64.420000000000002 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -123.38 -30.83 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.874 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.422 ' HZ ' HD13 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -110.57 134.66 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 65.239999999999995 110.906 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.617 ' HD2' HD11 ' A' ' 52' ' ' ILE . 3.9 ptm180 -137.94 142.82 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.340000000000003 110.868 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.486 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -121.19 118.53 29.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 110.921 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.42 121.14 31.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.049999999999997 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -121.57 126.44 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.150000000000006 111.149 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -118.84 117.92 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 52.329999999999998 111.123 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.78 104.56 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 54.229999999999997 110.842 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 69.08 6.1 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 73.129999999999995 110.857 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.28 81.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 64.530000000000001 111.109 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.81 88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 61.409999999999997 110.888 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 137.67 39.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.439999999999998 110.934 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -160.21 -38.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 53.219999999999999 112.432 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.537 HD21 ' HD2' ' A' ' 118' ' ' LYS . 4.5 pp -91.41 160.24 15.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.929 0.395 . . . . 71.030000000000001 110.89 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.547 ' HB ' HG22 ' A' ' 92' ' ' VAL . 31.7 p -47.48 109.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 64.25 111.159 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.31 -26.08 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 53.119999999999997 110.907 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.547 HG22 ' HB ' ' A' ' 90' ' ' THR . 31.1 m -60.96 -25.31 35.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 111.132 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.652 ' HE2' HD11 ' A' ' 97' ' ' LEU . 12.4 tmtt? -67.96 -49.33 62.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 110.898 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.508 ' HB2' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -65.68 -46.97 77.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 110.872 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.404 ' CE1' ' HB1' ' A' ' 114' ' ' ALA . 12.5 m-70 -62.24 -33.44 74.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 64.329999999999998 110.902 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.31 -33.14 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.049999999999997 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.652 HD11 ' HE2' ' A' ' 93' ' ' LYS . 32.8 mt -61.24 -53.08 61.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 41.240000000000002 110.898 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.576 HG22 ' HG3' ' A' ' 41' ' ' GLU . 36.9 pt -82.84 -26.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 111.135 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ILE . 36.4 p90 38.43 42.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 74.430000000000007 110.908 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.5 -21.49 69.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 53.109999999999999 112.489 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 2.9 mm? -65.66 161.7 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 72.230000000000004 110.884 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 51.32 46.34 26.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 72.299999999999997 110.901 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.5 p -112.75 -80.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 110.877 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -79.66 -23.15 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 62.119999999999997 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -39.29 61.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.862 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.66 -44.52 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.549999999999997 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -59.44 -19.86 50.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.040000000000006 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.701 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -96.63 -54.48 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.130000000000003 111.151 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.697 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.0 18.24 10.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 52.219999999999999 112.464 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.701 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -120.43 140.77 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.348 . . . . 63.219999999999999 110.928 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.54 176.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.349999999999994 110.91 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.8 161.69 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.530000000000001 111.073 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.74 151.63 41.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 63.310000000000002 110.924 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -135.45 136.57 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 64.430000000000007 111.116 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.1 mtp -142.85 118.3 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.340000000000003 110.887 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 94' ' ' ARG . 5.8 t -127.55 121.84 31.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.0 111.159 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.65 109.57 15.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.299999999999997 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HD2' HD21 ' A' ' 89' ' ' LEU . 2.6 tmmm? -134.44 140.49 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 64.150000000000006 110.902 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 75.030000000000001 111.152 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.681 ' HB2' ' CG ' ' A' ' 53' ' ' ASN . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.824 0.345 . . . . 71.219999999999999 111.072 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -38.64 95.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 64.109999999999999 112.465 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.681 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -60.62 -25.08 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 75.219999999999999 111.102 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.714 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -50.73 -30.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.200000000000003 111.116 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -41.14 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 63.439999999999998 110.897 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -65.05 -45.36 85.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 50.130000000000003 110.878 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -62.96 -33.16 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 73.519999999999996 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 36' ' ' ILE . 54.5 t -62.41 -40.08 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 54.149999999999999 111.125 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.16 -37.36 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 75.239999999999995 110.821 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.45 -19.46 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 63.43 111.088 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 71.519999999999996 111.094 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.11 -20.31 57.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 62.310000000000002 110.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.589 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -96.84 166.83 13.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 74.409999999999997 110.867 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.79 -7.66 21.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.647 2.231 . . . . 63.409999999999997 112.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.589 HG22 ' HB2' ' A' ' 45' ' ' SER . 8.7 t -71.37 176.14 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 71.230000000000004 111.145 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -128.62 124.69 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 71.129999999999995 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.68 ' HE2' HD13 ' A' ' 98' ' ' ILE . 5.9 m-85 -115.46 118.09 32.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 64.510000000000005 110.879 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' O ' HD22 ' A' ' 79' ' ' LEU . 9.5 tttt -105.3 117.8 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 72.150000000000006 110.885 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.681 HD11 ' CB ' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -124.45 121.52 35.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.899 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.432 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.2 pp -126.35 114.72 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 63.409999999999997 111.157 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.681 ' CG ' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -112.34 124.39 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 70.439999999999998 110.916 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.8 -78.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 74.430000000000007 110.856 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 108' ' ' ALA . 2.2 t 66.74 -178.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.530000000000001 110.853 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 74.430000000000007 110.879 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 63.020000000000003 111.096 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -33.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 63.009999999999998 110.867 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.449 ' HZ ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -108.59 133.9 52.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.319999999999993 110.868 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.432 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -148.79 119.72 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 64.010000000000005 110.869 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.67 HD23 ' HB2' ' A' ' 51' ' ' LEU . 3.1 tm? -120.16 117.55 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 73.010000000000005 110.893 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 129.27 51.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 74.430000000000007 110.862 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG13 HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER -115.84 127.26 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 63.219999999999999 111.146 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -121.2 118.03 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 53.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.29 104.41 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 53.409999999999997 110.857 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.602 ' HB2' HG23 ' A' ' 119' ' ' THR . 5.4 m-20 67.64 7.27 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.83 84.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 111.107 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' HB3' HG22 ' A' ' 119' ' ' THR . 0.2 OUTLIER -179.98 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.219999999999999 110.85 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -74.09 140.59 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 75.200000000000003 110.937 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.07 -33.89 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 75.409999999999997 112.477 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -97.75 160.71 14.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 63.539999999999999 110.941 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.451 ' OG1' HG22 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -41.66 108.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 111.138 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.417 HD23 ' H ' ' A' ' 91' ' ' LEU . 2.5 pt? -72.4 -33.73 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.450000000000003 110.889 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.451 HG22 ' OG1' ' A' ' 90' ' ' THR . 35.2 m -56.91 -23.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 72.450000000000003 111.166 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.69 ' HE2' HD11 ' A' ' 97' ' ' LEU . 8.3 tttt -67.44 -49.17 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.937 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 73.120000000000005 110.919 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.74 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 64.329999999999998 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -67.98 -39.32 83.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 61.32 110.922 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.69 HD11 ' HE2' ' A' ' 93' ' ' LYS . 34.9 mt -51.81 -52.23 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.140000000000001 110.889 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.68 HD13 ' HE2' ' A' ' 49' ' ' PHE . 24.9 pt -79.88 -33.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 111.137 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.5 t80 44.0 56.56 4.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.95 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.74 -37.49 3.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 63.140000000000001 112.48 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.773 HD22 ' HB2' ' A' ' 114' ' ' ALA . 1.9 tp -51.2 160.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.366 . . . . 73.140000000000001 110.921 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.4 HD22 ' OE1' ' A' ' 105' ' ' GLU . 0.5 OUTLIER 64.58 86.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 64.209999999999994 110.939 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.07 -74.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 71.120000000000005 110.869 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.76 -22.76 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 74.030000000000001 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.4 ' OE1' HD22 ' A' ' 102' ' ' LEU . 5.3 mt-10 -52.94 -28.34 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 71.439999999999998 110.88 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -33.76 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 75.150000000000006 110.924 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -81.01 -34.65 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 74.439999999999998 110.913 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.677 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -82.08 -53.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.140000000000001 111.088 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.697 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.18 17.25 11.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.751 . . . . 71.439999999999998 112.487 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.697 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.2 OUTLIER -120.56 139.54 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 75.439999999999998 110.939 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -174.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.109999999999999 110.837 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.52 157.4 42.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.439999999999998 111.048 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.64 146.75 47.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.049999999999997 110.904 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.773 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -133.32 137.85 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.209999999999994 111.14 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 7.9 mtm -142.34 119.08 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 81' ' ' VAL . 1.3 p -123.34 118.95 28.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 62.240000000000002 111.126 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.5 108.8 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 51.350000000000001 111.152 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.41 ' HB3' HD11 ' A' ' 89' ' ' LEU . 4.1 tttt -132.21 141.76 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.019999999999996 110.906 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.602 HG23 ' HB2' ' A' ' 84' ' ' ASP . 31.4 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.548 0.689 . . . . 75.430000000000007 111.142 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.847 0.356 . . . . 54.549999999999997 111.086 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.93 51.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 60.32 112.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.791 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.05 -26.53 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 73.019999999999996 111.095 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.69 -30.26 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 111.16 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -40.47 96.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 72.230000000000004 110.92 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 m -65.09 -45.15 86.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.846 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -63.92 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 53.140000000000001 110.862 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.0 t -62.19 -41.75 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.100000000000001 111.164 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -26.7 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.450000000000003 110.87 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -89.62 -20.88 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.510000000000005 111.138 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.25 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 74.5 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.16 -39.5 86.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.039999999999999 110.948 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.15 164.55 51.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 63.399999999999999 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 77.13 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.745 2.297 . . . . 72.129999999999995 112.372 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -163.65 173.59 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 111.155 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -128.93 125.03 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 73.019999999999996 110.834 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.668 ' HE2' HD13 ' A' ' 98' ' ' ILE . 6.2 m-85 -116.41 119.53 35.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.010000000000005 110.885 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.18 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 64.040000000000006 110.932 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tt -126.48 121.67 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 52.140000000000001 110.931 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.57 115.88 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.099999999999994 111.126 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.99 128.32 55.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.75 -52.93 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.239999999999995 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.6 160.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 110.86 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 t60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 60.240000000000002 110.907 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.731 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.87 0.367 . . . . 51.539999999999999 111.101 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.51 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.818 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' ILE . 44.8 t80 -108.54 136.35 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 75.519999999999996 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.633 ' HD2' HD11 ' A' ' 52' ' ' ILE . 4.0 ptm180 -147.75 138.98 23.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 52.32 110.846 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -121.74 116.16 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 72.430000000000007 110.903 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -122.83 149.93 43.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 74.430000000000007 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER -144.05 126.44 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 72.219999999999999 111.121 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -119.8 118.11 29.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 53.219999999999999 111.181 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.83 108.27 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.519999999999996 110.866 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.42 6.32 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 65.099999999999994 110.865 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.56 76.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 64.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 179.72 90.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 73.319999999999993 110.917 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.25 139.89 56.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.02 -73.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 51.420000000000002 112.498 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.515 HD21 ' HD3' ' A' ' 118' ' ' LYS . 4.5 pp -75.77 159.18 31.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 74.239999999999995 110.915 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.8 t -48.21 128.95 14.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 43.049999999999997 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.2 pt? -71.87 -25.51 61.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 71.519999999999996 110.92 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.693 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.8 m -57.09 -28.79 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 111.143 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.66 ' CE ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -68.9 -50.09 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 45.32 110.852 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' HG2' HG21 ' A' ' 81' ' ' VAL . 3.1 tpt180 -62.51 -47.21 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.329999999999998 110.821 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -39.89 89.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 71.200000000000003 110.822 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.66 -41.39 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.030000000000001 110.923 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.66 HD11 ' CE ' ' A' ' 93' ' ' LYS . 33.9 mt -51.3 -51.41 54.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 72.510000000000005 110.938 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.668 HD13 ' HE2' ' A' ' 49' ' ' PHE . 20.4 pt -79.38 -35.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 111.098 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 t80 43.83 54.13 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.409999999999997 110.947 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.87 -15.33 29.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 73.040000000000006 112.464 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.064 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -76.79 59.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 73.010000000000005 110.9 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.74 92.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 110.885 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.83 -76.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 55.329999999999998 110.871 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -77.8 -40.18 41.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 74.150000000000006 110.85 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.69 -43.61 90.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 65.530000000000001 110.861 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -60.04 -35.01 74.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 64.120000000000005 110.877 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.41 -24.46 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.200000000000003 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.868 ' HB3' HD12 ' A' ' 110' ' ' LEU . . . -104.44 -26.56 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 55.039999999999999 111.051 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.47 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 55.310000000000002 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.868 HD12 ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -76.34 147.02 38.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 53.119999999999997 110.947 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.07 131.17 41.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 65.439999999999998 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.64 163.13 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 62.100000000000001 111.09 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.63 151.13 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 64.329999999999998 110.971 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 1.064 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -138.4 133.42 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.230000000000004 111.088 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.06 120.1 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 63.119999999999997 110.864 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.451 HG22 ' CG1' ' A' ' 81' ' ' VAL . 1.2 p -123.71 123.4 40.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.219999999999999 111.098 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -121.2 109.89 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 111.101 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.515 ' HD3' HD21 ' A' ' 89' ' ' LEU . 10.5 tmtt? -133.71 140.85 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 75.099999999999994 110.94 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.57 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 61.299999999999997 111.15 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 53' ' ' ASN . . . . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.793 0.33 . . . . 73.319999999999993 111.083 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.51 52.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 74.200000000000003 112.537 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.633 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . -60.86 -27.71 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 62.450000000000003 111.127 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -52.31 -33.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 111.179 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 61.420000000000002 110.898 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -64.37 -39.77 94.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 71.329999999999998 110.892 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.66 ' CE ' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -64.53 -43.13 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.129999999999995 110.876 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 36' ' ' ILE . 44.6 t -53.65 -38.58 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 75.329999999999998 111.153 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.26 -35.89 70.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 73.219999999999999 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.5 -16.87 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 63.229999999999997 111.134 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -56.32 -24.04 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 62.350000000000001 111.137 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -18.58 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.349999999999994 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.42 164.63 19.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 73.109999999999999 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -6.97 19.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 64.420000000000002 112.354 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -66.89 -177.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.010000000000005 111.149 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -128.69 140.8 51.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 74.530000000000001 110.839 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 55.6 p90 -126.86 130.33 49.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.869 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -127.02 113.94 17.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 74.430000000000007 110.905 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 35' ' ' ALA . 2.6 tp -126.97 126.6 43.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 71.030000000000001 110.919 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.1 pt -126.47 113.59 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.340000000000003 111.138 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -111.65 125.63 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 60.039999999999999 110.884 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.37 -37.09 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 70.230000000000004 110.835 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.1 -168.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.010000000000005 110.834 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 63.340000000000003 110.864 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.83 0.348 . . . . 74.439999999999998 111.162 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -117.4 -15.15 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 72.030000000000001 110.862 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.86 135.42 53.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 71.310000000000002 110.893 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.573 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -148.73 133.77 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 74.549999999999997 110.869 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.773 HD22 ' CE1' ' A' ' 95' ' ' HIS . 1.4 tt -123.84 125.97 45.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.310000000000002 110.904 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.551 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.5 tp10 -141.08 124.23 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 62.210000000000001 110.914 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.99 134.88 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 71.329999999999998 111.108 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.409 ' HA ' HG23 ' A' ' 117' ' ' THR . 94.5 m -120.03 113.64 20.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 71.25 111.15 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.14 105.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 61.140000000000001 110.837 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.36 6.0 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 71.120000000000005 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.59 79.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.129999999999995 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.51 83.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 75.030000000000001 110.857 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 126.89 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 63.140000000000001 110.948 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.98 -70.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 44.030000000000001 112.49 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 90' ' ' THR . 4.5 pp -76.39 161.24 28.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 74.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.741 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.7 t -41.5 126.21 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 75.400000000000006 111.105 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 ' H ' ' A' ' 116' ' ' THR . 2.3 pt? -72.2 -32.45 66.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 62.210000000000001 110.919 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.741 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.7 m -57.98 -21.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.329999999999998 111.128 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.463 ' CB ' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -67.2 -49.8 63.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 110.858 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.527 ' HA ' HD12 ' A' ' 97' ' ' LEU . 12.4 mmm180 -61.56 -48.1 82.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.865 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.773 ' CE1' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -67.17 -25.32 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 64.010000000000005 110.827 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -75.43 -33.16 60.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.886 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 94' ' ' ARG . 10.7 mt -69.63 -50.3 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.430000000000007 110.853 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.66 HD12 ' CE ' ' A' ' 39' ' ' LYS . 10.4 pt -83.63 -21.74 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 72.209999999999994 111.142 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.3 p90 38.25 58.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 71.219999999999999 110.943 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.75 -37.22 4.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 55.140000000000001 112.498 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.014 HD22 ' HB2' ' A' ' 114' ' ' ALA . 12.2 tp -50.68 145.9 6.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 73.200000000000003 110.93 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.6 ' H ' HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER 67.14 129.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 53.43 110.953 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.66 -86.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 62.530000000000001 110.851 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -80.6 -20.44 43.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 73.329999999999998 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.67 -30.3 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.519999999999996 110.89 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -40.82 74.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 75.329999999999998 110.869 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -62.2 -22.66 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 72.129999999999995 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.519 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -95.12 -43.56 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 70.420000000000002 111.118 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.6 19.36 11.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 53.310000000000002 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.519 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 1.3 mm? -113.06 138.23 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 74.239999999999995 110.903 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.37 -167.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.862 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.83 162.0 29.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 54.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.422 HD12 ' SD ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -121.44 136.99 54.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 71.530000000000001 110.9 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 1.014 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -120.79 129.81 53.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.420000000000002 111.042 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.422 ' SD ' HD12 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -143.24 119.71 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.846 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.475 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -126.36 122.47 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 65.329999999999998 111.121 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.2 t -121.37 109.39 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 111.164 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.72 143.06 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 61.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.451 HG23 ' HB2' ' A' ' 86' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 44.329999999999998 111.169 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.85 0.357 . . . . 72.25 111.072 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.16 -38.06 87.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 74.230000000000004 112.499 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.99 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 72.209999999999994 111.127 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -51.34 -29.48 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 64.150000000000006 111.149 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.019999999999996 110.926 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 m -66.34 -45.16 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 63.229999999999997 110.892 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -32.58 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.319999999999993 110.906 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 36' ' ' ILE . 30.6 t -62.06 -41.8 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.230000000000004 111.121 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -56.96 -35.75 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.310000000000002 110.866 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . . . -77.81 -22.33 50.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 73.040000000000006 111.065 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.25 -24.33 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 64.409999999999997 111.072 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.29 -20.08 57.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 72.129999999999995 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.3 161.73 28.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.718 0.771 . . . . 61.130000000000003 110.824 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 102.97 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 62.140000000000001 112.34 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -175.63 -176.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 71.239999999999995 111.154 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -128.34 144.8 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 62.509999999999998 110.928 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -132.04 126.94 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.099999999999994 110.898 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.15 114.43 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 71.140000000000001 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.882 HD12 ' HG ' ' A' ' 79' ' ' LEU . 6.4 tt -126.46 129.37 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 74.120000000000005 110.929 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.484 HD11 ' HG2' ' A' ' 78' ' ' ARG . 1.1 pp -127.32 116.07 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 70.129999999999995 111.131 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -111.75 105.24 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 75.230000000000004 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -29.94 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 72.109999999999999 110.838 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.27 -172.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 110.858 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.9 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 53.25 110.882 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.636 HG21 HD23 ' A' ' 113' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 73.230000000000004 111.115 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -121.54 -21.38 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.430000000000007 110.839 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 51' ' ' LEU . 10.7 t80 -112.3 133.83 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.876 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG2' HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -148.7 145.79 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 73.219999999999999 110.84 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.882 ' HG ' HD12 ' A' ' 51' ' ' LEU . 1.1 tt -123.37 126.13 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 55.210000000000001 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -135.91 118.72 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.913 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 m -116.74 135.14 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -119.22 113.6 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.010000000000005 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.06 103.67 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.530000000000001 110.849 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.542 ' HB2' HG23 ' A' ' 119' ' ' THR . 2.2 m-20 72.07 0.06 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.150000000000006 110.883 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.57 84.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.439999999999998 111.158 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -178.75 57.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 70.349999999999994 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 142.02 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.109999999999999 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.6 -93.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 32.210000000000001 112.498 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.84 160.76 20.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 62.109999999999999 110.903 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 p 59.3 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 111.136 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -72.6 -34.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 71.200000000000003 110.98 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 m -60.29 -22.08 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 61.020000000000003 111.159 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -63.8 -42.0 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 62.240000000000002 110.931 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -68.67 -48.49 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -64.69 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.120000000000005 110.847 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.92 -39.3 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 74.430000000000007 110.904 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.99 -49.59 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 74.219999999999999 110.933 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.72 ' CG2' ' HB2' ' A' ' 42' ' ' ALA . 33.9 pt -81.39 -23.75 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.040000000000006 111.151 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.2 p90 38.94 40.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 75.030000000000001 110.918 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.75 -37.16 57.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.530000000000001 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 114' ' ' ALA . 57.3 tp -62.22 154.82 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 52.009999999999998 110.966 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.76 54.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 64.530000000000001 110.903 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.0 p -139.28 -79.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 63.229999999999997 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.1 -23.17 44.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 72.439999999999998 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.457 ' HG3' ' HB2' ' A' ' 112' ' ' ALA . 1.3 tm-20 -53.15 -40.64 64.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.918 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.29 35.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 65.010000000000005 110.86 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.22 -30.06 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 51.229999999999997 110.919 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.59 -46.4 47.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 55.020000000000003 111.08 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.3 -6.32 39.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 62.219999999999999 112.484 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.744 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.2 145.28 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 73.120000000000005 110.89 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.62 163.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.430000000000007 110.813 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -131.37 161.54 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 61.399999999999999 111.107 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.636 HD23 HG21 ' A' ' 75' ' ' THR . 0.5 OUTLIER -128.71 129.12 45.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.0 110.923 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.624 ' HB3' HD22 ' A' ' 101' ' ' LEU . . . -130.92 121.64 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 52.100000000000001 111.025 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 11.9 ptp -119.62 119.78 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.853 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -106.44 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 111.18 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.86 109.57 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 62.420000000000002 111.154 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.24 149.22 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 70.019999999999996 110.877 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 84' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.567 0.698 . . . . 74.549999999999997 111.179 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB2' ' CB ' ' A' ' 53' ' ' ASN . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.825 0.345 . . . . 51.520000000000003 111.088 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.25 -38.77 57.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 41.229999999999997 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -61.17 -25.85 67.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 74.230000000000004 111.12 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -50.95 -31.02 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 61.299999999999997 111.114 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -40.18 97.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.150000000000006 110.887 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 p -65.22 -45.36 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 70.299999999999997 110.829 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -63.14 -33.42 75.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.540000000000006 110.893 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 t -61.71 -41.41 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 71.219999999999999 111.158 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -26.72 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 64.400000000000006 110.891 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.62 -22.32 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 74.120000000000005 111.136 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -60.44 -22.95 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 111.088 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.87 -32.16 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.904 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.47 159.89 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.672 0.749 . . . . 72.430000000000007 110.839 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 104.7 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 65.239999999999995 112.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -176.12 -171.89 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 111.171 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -127.64 124.37 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 61.039999999999999 110.88 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 6.9 p90 -115.47 130.86 57.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 62.119999999999997 110.877 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 1.9 tppt? -128.02 113.52 15.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 74.200000000000003 110.904 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.815 HD12 HD23 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -128.41 119.36 24.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 72.409999999999997 110.878 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.5 117.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.329999999999998 111.128 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.538 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -108.79 122.48 47.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -120.74 29.28 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 72.019999999999996 110.918 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -49.64 165.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.040000000000006 110.87 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.834 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.863 0.364 . . . . 55.109999999999999 111.128 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.579 ' HD2' HD23 ' A' ' 110' ' ' LEU . 25.3 p80 -174.96 -30.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 71.329999999999998 110.854 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.417 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 18.5 t80 -109.05 133.26 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.87 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.4 142.91 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 110.854 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.815 HD23 HD12 ' A' ' 51' ' ' LEU . 3.1 tm? -130.02 117.77 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.120000000000005 110.852 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.438 ' HG3' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -123.77 144.14 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 63.32 110.874 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.46 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -134.99 126.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 74.450000000000003 111.122 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -120.92 114.09 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.209999999999994 111.15 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.26 103.24 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 53.350000000000001 110.866 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.38 4.79 4.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 64.319999999999993 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.89 84.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 64.109999999999999 111.093 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.413 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER -176.38 94.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.109999999999999 110.898 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 124.77 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 61.409999999999997 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -144.5 -39.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 61.409999999999997 112.493 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 89' ' ' LEU . 4.6 pp -103.85 160.22 14.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.937 0.398 . . . . 71.099999999999994 110.921 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.573 ' HB ' HG22 ' A' ' 92' ' ' VAL . 49.0 p -46.72 105.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 74.409999999999997 111.142 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.608 ' HB2' HG23 ' A' ' 116' ' ' THR . 1.9 pt? -54.86 -26.07 32.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 110.886 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.573 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.2 m -56.98 -23.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 111.118 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -49.23 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 51.140000000000001 110.874 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -64.5 -47.46 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.549999999999997 110.885 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.544 ' CE1' HG22 ' A' ' 116' ' ' THR . 11.9 m170 -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.808 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.55 -33.13 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 71.109999999999999 110.941 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 94' ' ' ARG . 32.0 mt -60.47 -51.77 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.91 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.66 -27.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 54.539999999999999 111.078 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.8 p90 38.05 42.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 73.510000000000005 110.901 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.94 -26.52 37.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 51.399999999999999 112.465 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 114' ' ' ALA . 10.9 mp -51.8 151.69 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 35.140000000000001 110.938 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tt 63.92 74.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.210000000000001 110.949 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -133.31 -80.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 70.040000000000006 110.867 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.27 -22.48 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 73.299999999999997 110.876 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -52.01 58.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 55.119999999999997 110.883 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -57.85 -25.36 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.81 60.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.409999999999997 110.945 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.504 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -111.06 -45.52 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 72.540000000000006 111.129 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.549 ' O ' HD13 ' A' ' 110' ' ' LEU . . . 106.8 18.8 10.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 65.5 112.493 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.596 ' N ' HD22 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -121.26 134.57 55.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 75.409999999999997 110.906 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.3 169.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.540000000000006 110.863 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -139.17 161.73 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.509999999999998 111.068 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.6 150.13 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 53.450000000000003 110.867 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.786 ' HB3' HD21 ' A' ' 101' ' ' LEU . . . -152.25 142.5 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.420000000000002 111.083 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.7 mtm -142.74 120.37 11.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.230000000000004 110.918 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.608 HG23 ' HB2' ' A' ' 91' ' ' LEU . 6.4 t -122.4 114.71 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 61.240000000000002 111.135 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.31 110.23 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.319999999999993 111.145 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -132.81 146.0 51.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.430000000000007 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.413 HG23 ' HB2' ' A' ' 86' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 74.120000000000005 111.118 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.905 0.383 . . . . 73.439999999999998 111.08 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.41 50.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 72.120000000000005 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.78 -26.7 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.708 0.29 . . . . 71.450000000000003 111.13 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.46 -30.68 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 51.020000000000003 111.114 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.72 97.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.049999999999997 110.92 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 m -65.03 -43.87 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 65.019999999999996 110.864 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -62.27 -35.24 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.120000000000005 110.939 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.5 t -62.32 -37.66 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 64.120000000000005 111.167 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.59 -37.31 80.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.010000000000005 110.899 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -78.21 -20.71 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 111.103 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.04 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 62.32 111.111 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.0 -39.27 85.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 60.310000000000002 110.928 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.89 164.32 61.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.712 0.768 . . . . 64.450000000000003 110.846 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 63.42 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 73.540000000000006 112.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -151.4 177.23 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 65.510000000000005 111.155 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -129.7 125.43 35.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 62.140000000000001 110.858 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.481 ' CE2' HD13 ' A' ' 98' ' ' ILE . 6.4 m-85 -118.04 131.32 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.876 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -127.12 120.75 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 71.129999999999995 110.938 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -123.95 127.27 47.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 72.439999999999998 110.896 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -125.45 115.55 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 111.131 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.44 124.78 52.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 71.319999999999993 110.922 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.98 -33.89 8.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 75.019999999999996 110.873 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.43 -170.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 40.049999999999997 110.823 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.349999999999994 110.882 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.424 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.2 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 72.329999999999998 111.12 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.432 ' H ' HD23 ' A' ' 110' ' ' LEU . 63.3 m170 -121.88 -12.94 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.868 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.461 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 7.7 m-85 -112.0 136.55 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.504 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -147.88 118.0 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 74.109999999999999 110.874 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.718 ' HB2' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -111.86 117.0 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 62.210000000000001 110.906 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -121.69 145.48 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 110.9 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -143.45 126.95 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 74.310000000000002 111.115 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.5 m -119.53 115.15 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.240000000000002 111.157 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 104.22 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 53.329999999999998 110.885 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.55 3.48 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 74.439999999999998 110.842 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.05 77.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 65.530000000000001 111.146 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.559 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 179.38 78.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 54.009999999999998 110.87 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 142.59 35.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 63.399999999999999 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.58 -36.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.757 . . . . 73.310000000000002 112.533 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.664 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -115.77 161.76 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 41.520000000000003 110.891 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.665 ' OG1' HG22 ' A' ' 92' ' ' VAL . 9.1 t -44.09 127.34 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 111.143 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.71 -25.94 68.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 110.914 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.665 HG22 ' OG1' ' A' ' 90' ' ' THR . 4.7 m -57.21 -22.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 75.530000000000001 111.161 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -49.75 67.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -40.48 86.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.519999999999996 110.842 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -68.76 -33.32 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 72.430000000000007 110.895 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -74.11 -33.22 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 54.329999999999998 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.07 -51.41 61.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 74.239999999999995 110.976 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.481 HD13 ' CE2' ' A' ' 49' ' ' PHE . 9.3 pt -81.87 -20.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.150000000000006 111.137 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.8 p90 39.2 43.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 71.030000000000001 110.966 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.92 -37.6 18.6 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.73 . . . . 23.440000000000001 112.478 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 114' ' ' ALA . 7.8 tp -69.79 166.17 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.430000000000007 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tp 65.18 80.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 61.149999999999999 110.909 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.54 -88.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.299999999999997 110.852 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.446 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 10.6 t70 -80.67 -19.31 45.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 71.099999999999994 110.902 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.13 -40.57 70.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.7 -36.76 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -61.36 -31.22 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 74.420000000000002 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.22 -46.28 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 111.123 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.41 -6.46 39.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 62.439999999999998 112.495 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.739 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.62 143.79 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 73.530000000000001 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.319999999999993 110.864 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -140.08 163.74 31.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 72.209999999999994 111.093 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.53 125.56 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 73.109999999999999 110.914 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.754 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -123.54 141.76 51.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 64.400000000000006 111.073 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.8 mtm -142.77 120.42 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 64.329999999999998 110.842 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.472 ' CB ' HG13 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -125.68 122.39 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 42.200000000000003 111.129 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.47 109.79 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 72.540000000000006 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.18 142.68 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.911 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.559 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 62.549999999999997 111.135 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.837 0.351 . . . . 63.299999999999997 111.061 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.62 -38.56 52.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 52.009999999999998 112.51 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.28 -26.35 66.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 61.520000000000003 111.088 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.718 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.8 tt -52.27 -32.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 63.409999999999997 111.128 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -66.41 -37.77 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.230000000000004 110.914 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 m -64.47 -47.99 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.310000000000002 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 3.1 ptmt -63.94 -33.74 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 52.32 110.91 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.1 t -59.11 -40.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 71.349999999999994 111.16 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -55.13 -36.01 65.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.299999999999997 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.63 -21.48 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 70.329999999999998 111.133 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . . . -60.97 -24.87 66.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.510000000000005 111.108 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -21.55 62.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.140000000000001 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.6 161.05 26.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.668 0.747 . . . . 51.310000000000002 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 98.15 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 72.140000000000001 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -175.67 -171.55 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 75.030000000000001 111.138 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -128.45 146.77 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 72.049999999999997 110.848 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 5.6 p90 -130.11 134.24 47.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 75.150000000000006 110.856 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -127.93 117.28 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.430000000000007 110.909 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.02 HD12 HD23 ' A' ' 79' ' ' LEU . 1.4 tt -124.8 121.34 34.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 54.229999999999997 110.914 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.3 pp -121.95 113.95 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 71.340000000000003 111.156 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.27 126.86 55.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 64.530000000000001 110.884 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -43.99 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.109999999999999 110.845 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.32 -168.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.150000000000006 110.852 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 70.25 110.843 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.856 0.36 . . . . 71.439999999999998 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.23 -16.85 9.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 73.219999999999999 110.846 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 105' ' ' GLU . 13.9 m-85 -112.23 135.63 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 62.409999999999997 110.896 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -145.91 136.52 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.877 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.02 HD23 HD12 ' A' ' 51' ' ' LEU . 2.6 tm? -129.61 118.32 21.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 110.911 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -138.35 144.33 40.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 72.400000000000006 110.851 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.713 HG22 ' HB ' ' A' ' 116' ' ' THR . 1.0 OUTLIER -124.67 143.62 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 61.310000000000002 111.149 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -119.51 112.35 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 61.149999999999999 111.162 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.53 102.83 9.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 110.873 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' HB2' HG23 ' A' ' 119' ' ' THR . 7.8 m-20 65.81 9.57 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.881 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.61 79.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 53.229999999999997 111.116 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.69 91.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.430000000000007 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.632 ' HE3' HD13 ' A' ' 91' ' ' LEU . 7.7 tttm -76.63 124.37 27.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 110.856 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.513 ' C ' HD13 ' A' ' 89' ' ' LEU . . . -140.63 -30.07 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 72.319999999999993 112.524 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.585 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -105.38 160.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 75.319999999999993 110.911 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.646 ' HB ' HG22 ' A' ' 92' ' ' VAL . 68.9 p -49.75 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.340000000000003 111.125 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.632 HD13 ' HE3' ' A' ' 87' ' ' LYS . 2.6 pt? -51.52 -25.78 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 73.129999999999995 110.94 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.646 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.5 m -55.96 -25.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 52.450000000000003 111.11 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.719 ' HE3' HD11 ' A' ' 97' ' ' LEU . 1.4 tmtp? -66.36 -51.16 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.140000000000001 110.888 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.5 -48.6 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.420000000000002 110.905 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.649 ' CD2' HD23 ' A' ' 101' ' ' LEU . 5.8 t-80 -59.88 -33.25 71.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.82 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.43 -32.8 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.129999999999995 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.719 HD11 ' HE3' ' A' ' 93' ' ' LYS . 46.2 mt -61.69 -50.15 73.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 pt -82.01 -33.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 111.14 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.0 p90 38.76 41.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.61 1.37 85.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 65.420000000000002 112.514 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.717 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 4.4 mm? -80.96 56.63 2.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 72.420000000000002 110.901 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.27 103.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 64.430000000000007 110.893 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.4 t 179.46 -77.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 62.219999999999999 110.887 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -78.8 -27.85 44.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 71.400000000000006 110.843 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.58 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 0.4 OUTLIER -52.98 -39.95 63.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 55.310000000000002 110.84 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -27.99 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 60.25 110.871 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -65.93 -16.83 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.030000000000001 110.915 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' A' ' 110' ' ' LEU . . . -116.96 -42.23 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 70.530000000000001 111.119 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.53 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.92 19.28 9.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 60.229999999999997 112.46 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -107.69 139.29 42.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 53.32 110.96 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' HB2' ' HG2' ' A' ' 105' ' ' GLU . . . -162.65 154.9 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 73.049999999999997 111.087 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.479 HD11 ' HE ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -122.4 151.14 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 110.931 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.717 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -132.24 126.75 34.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 60.439999999999998 111.135 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.4 mtm -142.24 116.95 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.420000000000002 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.713 ' HB ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -125.92 129.79 50.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 75.510000000000005 111.151 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 109.78 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 74.430000000000007 111.159 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 140.59 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 73.540000000000006 110.95 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.408 HG23 ' HB2' ' A' ' 84' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 64.140000000000001 111.087 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.789 0.328 . . . . 53.329999999999998 111.122 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.82 54.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 73.540000000000006 112.484 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.797 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.92 -25.69 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 73.049999999999997 111.106 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -50.77 -31.28 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 63.009999999999998 111.125 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -39.92 96.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 110.89 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -64.51 -45.23 88.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 74.510000000000005 110.905 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.3 pttm -64.15 -33.57 76.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.409999999999997 110.882 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 t -61.67 -38.16 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 70.540000000000006 111.112 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.15 -38.23 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.030000000000001 110.849 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.41 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -78.03 -19.4 54.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 35.350000000000001 111.105 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -57.32 -38.58 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 71.140000000000001 111.104 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.32 -37.21 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 72.329999999999998 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -73.3 166.64 41.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 54.43 110.893 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.71 75.02 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 73.25 112.332 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -172.89 174.26 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.230000000000004 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -127.87 125.55 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 75.319999999999993 110.891 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.53 ' CE2' HD13 ' A' ' 98' ' ' ILE . 11.0 m-85 -115.23 133.5 55.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 53.32 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 130.4 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 62.240000000000002 110.893 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 35' ' ' ALA . 5.9 tt -129.37 122.52 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 70.420000000000002 110.875 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 78' ' ' ARG . 1.4 pp -125.32 117.07 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 111.15 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -109.15 122.64 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 42.329999999999998 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -33.74 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 64.349999999999994 110.902 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.9 -175.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 53.140000000000001 110.876 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 54.450000000000003 110.868 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.456 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.1 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 72.420000000000002 111.155 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.423 ' CD2' HD11 ' A' ' 110' ' ' LEU . 4.8 m-70 -121.84 -23.66 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 70.510000000000005 110.851 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -112.18 135.24 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HG2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -138.78 146.08 40.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 110.861 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -126.25 114.79 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 71.140000000000001 110.938 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.94 149.22 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -143.62 129.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.049999999999997 111.141 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -118.3 120.24 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 54.43 111.123 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.45 104.45 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.310000000000002 110.869 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.05 8.95 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 74.439999999999998 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.21 77.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 70.230000000000004 111.118 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 179.82 92.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.049999999999997 110.914 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 138.57 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.030000000000001 110.907 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.52 -76.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.725 . . . . 61.039999999999999 112.454 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.1 159.73 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 73.109999999999999 110.94 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.686 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.8 t -47.94 129.84 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 70.120000000000005 111.135 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.549 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.2 pt? -71.9 -25.29 61.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.549999999999997 110.957 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.686 HG22 ' OG1' ' A' ' 90' ' ' THR . 6.3 m -56.68 -23.93 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 72.510000000000005 111.123 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.595 ' HE2' HD11 ' A' ' 97' ' ' LEU . 11.2 tmtt? -68.13 -49.42 61.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 52.420000000000002 110.876 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -47.23 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 75.310000000000002 110.844 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -34.14 76.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 64.310000000000002 110.896 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.87 -33.04 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.595 HD11 ' HE2' ' A' ' 93' ' ' LYS . 22.7 mt -61.14 -52.86 63.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.932 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.53 HD13 ' CE2' ' A' ' 49' ' ' PHE . 27.3 pt -82.96 -22.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.519999999999996 111.12 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 38.54 45.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.310000000000002 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.45 -8.47 57.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.753 -0.736 . . . . 73.299999999999997 112.455 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.117 HD13 ' HB2' ' A' ' 114' ' ' ALA . 7.0 tp -82.67 55.43 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 64.109999999999999 110.912 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.0 tp 179.18 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.926 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.2 -75.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 64.310000000000002 110.866 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -67.57 -33.88 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 71.230000000000004 110.865 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -38.22 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 71.299999999999997 110.879 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.46 -26.72 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.420000000000002 110.865 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -80.04 -13.92 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.519999999999996 110.946 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.82 -41.63 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.019999999999996 111.089 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.09 -7.41 40.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 62.329999999999998 112.519 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.74 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.22 143.08 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 64.140000000000001 110.942 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.84 173.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 70.329999999999998 110.867 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.47 163.17 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.439999999999998 111.109 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 148.86 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 73.219999999999999 110.931 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 1.117 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -141.83 141.05 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.329999999999998 111.127 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.5 mtp -143.07 120.08 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.409999999999997 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.467 ' CB ' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -122.83 124.64 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.439999999999998 111.129 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.65 109.92 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.93 139.24 46.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 71.129999999999995 110.883 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.583 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 61.310000000000002 111.192 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.831 0.348 . . . . 72.209999999999994 111.077 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -47.05 -34.63 7.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 65.140000000000001 112.466 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . -52.95 -30.92 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 74.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.906 HG22 ' O ' ' A' ' 33' ' ' ALA . 19.0 tt -60.43 -32.17 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 64.140000000000001 111.144 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -37.2 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 72.310000000000002 110.901 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.2 t -64.85 -48.18 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 55.409999999999997 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 65.010000000000005 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.5 t -60.45 -37.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.120000000000005 111.108 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.56 -40.92 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 63.539999999999999 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.13 -22.14 66.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 75.340000000000003 111.105 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -61.46 -24.5 66.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 75.109999999999999 111.129 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.39 -23.59 64.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 64.409999999999997 110.861 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.63 161.35 25.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 51.020000000000003 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.28 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 64.120000000000005 112.337 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.422 ' HG1' ' H ' ' A' ' 48' ' ' HIS . 11.5 t -175.72 -171.31 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 64.329999999999998 111.11 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.422 ' H ' ' HG1' ' A' ' 47' ' ' THR . 3.0 t-160 -128.37 145.83 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.349999999999994 110.853 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 9.9 p90 -133.2 127.53 33.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 110.875 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -127.34 112.45 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 71.519999999999996 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -127.86 127.17 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.439999999999998 110.937 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -122.74 114.16 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.340000000000003 111.138 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.71 125.63 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 44.43 110.888 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.8 45.32 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 71.099999999999994 110.88 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.37 136.57 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 64.340000000000003 110.903 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 64.549999999999997 110.873 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.82 0.343 . . . . 64.420000000000002 111.171 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -116.7 -17.16 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 51.439999999999998 110.881 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 9.1 m-85 -111.51 135.05 52.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.209999999999994 110.883 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HD2' HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -149.66 141.0 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 63.509999999999998 110.835 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.732 ' HB2' HD23 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -134.83 119.58 18.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.040000000000006 110.907 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -144.12 146.3 32.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 110.881 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.713 HG22 ' HB ' ' A' ' 116' ' ' THR . 2.9 m -132.0 141.85 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.439999999999998 111.083 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -119.23 113.64 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.519999999999996 111.124 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.06 104.18 11.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.808 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.68 8.7 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 73.230000000000004 110.868 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.99 80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.140000000000001 111.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.409 ' HB3' HG22 ' A' ' 119' ' ' THR . 2.7 t80 -177.53 75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.908 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 130.74 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 70.519999999999996 110.902 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.36 -63.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 51.240000000000002 112.503 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.25 160.06 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 71.409999999999997 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.736 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.4 t -46.53 128.04 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 111.159 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -71.73 -32.23 67.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 73.140000000000001 110.883 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.736 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.9 m -56.99 -21.78 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.319999999999993 111.102 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -50.01 59.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 74.510000000000005 110.939 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.788 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -67.61 -47.65 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 53.450000000000003 110.896 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -59.59 -35.32 74.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 62.409999999999997 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -34.34 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 71.310000000000002 110.923 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 94' ' ' ARG . 10.4 mt -61.32 -49.62 76.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 62.350000000000001 110.932 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.8 pt -82.84 -27.11 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 55.530000000000001 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.0 48.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 71.099999999999994 110.945 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.67 -36.83 5.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 45.329999999999998 112.511 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -76.05 65.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 50.520000000000003 110.917 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER 174.86 57.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.888 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.43 -75.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.349999999999994 110.83 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 33' ' ' ALA . 17.9 t0 -62.36 -40.52 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 52.409999999999997 110.857 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -30.65 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.871 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.34 -43.54 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.439999999999998 110.841 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -59.24 -20.02 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.530000000000001 110.85 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.64 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -93.16 -49.48 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 73.109999999999999 111.087 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.616 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 105.37 19.14 10.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 21.050000000000001 112.514 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.64 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -118.55 139.39 51.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 64.200000000000003 110.909 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.15 176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 110.853 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.619 ' CB ' HD11 ' A' ' 101' ' ' LEU . . . -157.83 158.45 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.340000000000003 111.116 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.65 130.39 52.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 70.209999999999994 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -117.78 111.75 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 41.100000000000001 111.107 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.697 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -138.84 118.79 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.842 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.713 ' HB ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -121.76 135.21 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 111.162 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 t -120.85 110.02 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.65 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 53.039999999999999 110.919 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 86' ' ' PHE . 1.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 74.349999999999994 111.15 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.554 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.825 0.345 . . . . 62.100000000000001 111.105 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.86 -37.0 51.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.703 -0.76 . . . . 53.450000000000003 112.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.632 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -60.68 -25.21 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.319999999999993 111.08 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.1 tt -50.75 -31.8 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.239999999999995 111.111 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -40.04 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 60.109999999999999 110.91 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -64.76 -45.6 85.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.510000000000005 110.866 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -64.29 -32.33 73.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 62.25 110.909 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.4 t -61.64 -42.22 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.129999999999995 111.106 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.66 -27.54 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 -20.71 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 32.43 111.096 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.48 -21.63 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.450000000000003 111.077 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.47 14.43 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.209999999999994 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.71 164.9 33.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.673 0.749 . . . . 70.030000000000001 110.867 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 77.46 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 71.299999999999997 112.361 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -176.42 176.64 1.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 63.5 111.156 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -129.15 125.49 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.209999999999994 110.868 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.721 ' CE2' HG21 ' A' ' 98' ' ' ILE . 8.8 m-85 -114.79 119.42 36.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 74.209999999999994 110.871 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' HD22 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -106.94 118.62 37.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 75.409999999999997 110.888 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.632 HD11 ' CB ' ' A' ' 35' ' ' ALA . 3.3 tt -125.62 121.14 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.914 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.3 114.44 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 72.200000000000003 111.127 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.554 ' ND2' ' HB2' ' A' ' 33' ' ' ALA . 2.1 t30 -115.35 124.38 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 61.310000000000002 110.851 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -65.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.450000000000003 110.866 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.32 132.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 70.439999999999998 110.882 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 110.876 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.776 0.322 . . . . 35.0 111.17 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 76' ' ' HIS . 2.0 p-80 -118.81 -16.95 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 64.109999999999999 110.892 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.581 ' HE2' HD12 ' A' ' 101' ' ' LEU . 3.3 t80 -111.31 138.3 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 110.884 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.49 132.3 18.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.099999999999994 110.873 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 51' ' ' LEU . 3.4 tm? -121.11 115.45 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.129999999999995 110.91 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -123.88 128.51 49.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.140000000000001 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -119.32 128.63 75.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 70.439999999999998 111.1 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.3 m -119.03 120.38 37.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 111.135 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.82 103.68 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.883 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.07 6.63 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 72.120000000000005 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 46.35 78.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 65.239999999999995 111.108 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.591 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 175.88 84.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 65.519999999999996 110.878 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 138.13 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 71.409999999999997 110.881 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.458 ' C ' HD13 ' A' ' 89' ' ' LEU . . . -148.54 -31.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 64.129999999999995 112.506 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.525 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -104.78 159.95 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 72.530000000000001 110.93 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.627 ' HB ' HG22 ' A' ' 92' ' ' VAL . 35.0 p -48.67 109.95 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.349999999999994 111.122 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.24 -25.33 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 110.926 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 90' ' ' THR . 35.9 m -55.92 -36.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 52.310000000000002 111.107 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -48.5 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.049999999999997 110.936 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.526 ' HB3' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -61.36 -36.66 80.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 74.109999999999999 110.825 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.99 -36.44 83.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 64.219999999999999 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.57 -33.27 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 53.140000000000001 110.948 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.77 -50.84 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 53.130000000000003 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.721 HG21 ' CE2' ' A' ' 49' ' ' PHE . 48.6 pt -82.85 -26.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.5 111.114 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.01 46.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.09 -31.89 5.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 73.230000000000004 112.456 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.581 HD12 ' HE2' ' A' ' 77' ' ' PHE . 15.0 tp -61.1 152.3 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 74.450000000000003 110.929 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 101' ' ' LEU . 1.5 tt 68.6 93.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.952 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.7 -67.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 60.299999999999997 110.852 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.51 -37.1 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 50.130000000000003 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -53.39 -31.46 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.519999999999996 110.931 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -27.93 58.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 60.100000000000001 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -27.92 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.409999999999997 110.91 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.38 -31.42 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 34.32 111.12 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.589 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 105.62 18.21 12.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 43.240000000000002 112.491 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.5 OUTLIER -119.59 139.57 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 65.329999999999998 110.885 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 62.310000000000002 110.884 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.56 149.94 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 111.116 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.2 130.94 53.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -133.79 145.22 49.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 71.310000000000002 111.106 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -142.84 120.49 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.84 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 94' ' ' ARG . 1.2 p -113.91 121.66 44.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 63.340000000000003 111.131 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -121.96 108.84 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 55.140000000000001 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -130.96 149.37 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 50.219999999999999 110.88 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.611 0.72 . . . . 75.230000000000004 111.138 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 44.020000000000003 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.67 -39.26 54.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 75.319999999999993 112.509 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.51 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 72.299999999999997 111.083 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -51.9 -30.61 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 42.200000000000003 111.17 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.97 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.907 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 m -65.61 -43.51 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 74.510000000000005 110.881 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 73.310000000000002 110.877 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 36' ' ' ILE . 51.9 t -62.33 -39.02 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 65.540000000000006 111.131 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.7 -34.29 75.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.329999999999998 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.04 -19.92 46.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 71.540000000000006 111.16 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.59 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 34.200000000000003 111.098 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.82 -28.62 50.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 70.129999999999995 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -84.87 168.26 21.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 60.219999999999999 110.823 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 -4.92 15.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 53.229999999999997 112.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -79.5 177.78 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 75.400000000000006 111.141 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -129.7 134.4 47.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.099999999999994 110.843 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.44 126.18 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 64.010000000000005 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' O ' HD22 ' A' ' 79' ' ' LEU . 15.9 ptpt -122.71 123.83 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 70.25 110.881 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.674 ' HB2' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -125.74 126.55 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.239999999999995 110.935 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -122.7 114.36 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 73.349999999999994 111.143 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.31 125.32 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.209999999999994 110.907 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.24 -44.04 4.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 63.200000000000003 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t 51.05 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.450000000000003 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.0 t60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.510000000000005 110.896 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.806 0.336 . . . . 75.209999999999994 111.113 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -118.11 -9.76 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.510000000000005 110.846 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 5.7 m-85 -112.61 135.35 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.903 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.521 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -148.71 127.59 12.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 73.510000000000005 110.882 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.674 HD23 ' HB2' ' A' ' 51' ' ' LEU . 3.3 tm? -120.66 117.21 26.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.099999999999994 110.914 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.13 133.75 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 75.299999999999997 110.868 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.461 HG13 HG22 ' A' ' 116' ' ' THR . 0.3 OUTLIER -126.11 129.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 111.118 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -119.35 115.13 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 55.200000000000003 111.162 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 103.54 9.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 63.439999999999998 110.871 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 68.18 5.45 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 63.020000000000003 110.878 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.32 78.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 32.100000000000001 111.123 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.499 ' HB3' HG23 ' A' ' 119' ' ' THR . 1.1 t80 -176.07 72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.887 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 143.16 28.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 110.853 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.03 -36.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 71.140000000000001 112.499 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.677 HD21 ' CD ' ' A' ' 118' ' ' LYS . 4.6 pp -101.99 160.6 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 44.039999999999999 110.93 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 p -45.08 110.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.169 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -53.34 -30.07 37.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.33 -20.5 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 62.329999999999998 111.159 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HE2' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.46 -49.03 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.200000000000003 110.933 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HG2' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.14 -40.5 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.450000000000003 110.872 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -69.22 -42.26 75.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 74.209999999999994 110.82 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.37 -32.73 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.874 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.81 -52.62 64.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 71.319999999999993 110.955 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.2 pt -84.02 -19.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 71.030000000000001 111.169 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.6 p90 38.23 58.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.430000000000007 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.94 -37.76 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 54.140000000000001 112.468 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.812 HD22 ' HB2' ' A' ' 114' ' ' ALA . 4.2 tp -65.33 171.61 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 74.219999999999999 110.888 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 tp 61.06 92.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 65.530000000000001 110.951 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -75.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.109999999999999 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -73.79 -29.84 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 42.5 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 0.4 OUTLIER -52.75 -41.8 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.935 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -29.29 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 73.340000000000003 110.855 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -73.78 -16.68 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 61.200000000000003 110.871 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.498 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -93.14 -42.51 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 73.519999999999996 111.104 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.34 -3.72 33.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 64.540000000000006 112.48 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.76 141.49 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 73.439999999999998 110.87 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.230000000000004 110.888 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -148.3 162.8 38.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.040000000000006 111.14 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.58 132.59 54.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.9 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.812 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -124.55 139.69 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 63.539999999999999 111.061 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.93 119.66 19.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 64.530000000000001 110.905 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.461 HG22 HG13 ' A' ' 81' ' ' VAL . 1.1 p -124.84 121.13 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 72.329999999999998 111.131 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -120.79 109.74 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 61.020000000000003 111.156 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.677 ' CD ' HD21 ' A' ' 89' ' ' LEU . 13.4 tmtt? -139.9 140.58 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.902 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.53 0.681 . . . . 70.129999999999995 111.138 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.821 0.344 . . . . 60.25 111.087 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.52 -38.96 52.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 64.420000000000002 112.473 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.63 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 64.430000000000007 111.14 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -51.36 -31.27 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 111.102 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.11 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 71.239999999999995 110.909 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -63.69 -43.68 95.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.219999999999999 110.867 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.230000000000004 110.884 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.63 -36.07 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 52.100000000000001 111.147 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.71 -34.03 69.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.329999999999998 110.872 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.29 -18.69 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 63.219999999999999 111.132 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.36 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 52.240000000000002 111.119 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.21 -23.63 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 61.420000000000002 110.913 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.416 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -95.93 165.88 15.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.696 0.76 . . . . 74.129999999999995 110.889 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.79 76.49 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 64.340000000000003 112.35 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 t -155.48 177.38 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 50.43 111.154 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -129.15 124.93 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 55.149999999999999 110.866 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.534 ' HE2' HG21 ' A' ' 98' ' ' ILE . 6.7 m-85 -120.41 127.35 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.510000000000005 110.87 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 115.82 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 110.902 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -118.65 132.64 56.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.230000000000004 110.924 179.9 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.553 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.3 pp -125.28 114.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.420000000000002 111.159 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.411 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -110.27 125.3 52.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.858 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.13 46.88 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.329999999999998 110.812 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -46.34 138.28 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.200000000000003 110.829 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 61.450000000000003 110.859 179.962 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.557 HG22 ' C ' ' A' ' 111' ' ' HIS . 37.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.832 0.348 . . . . 74.219999999999999 111.156 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.434 ' H ' HD23 ' A' ' 110' ' ' LEU . 2.1 m-70 -122.81 -9.11 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 62.329999999999998 110.825 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.448 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 7.1 m-85 -112.0 135.36 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.409999999999997 110.904 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 52' ' ' ILE . 1.8 ttp85 -148.84 137.71 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 74.010000000000005 110.911 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.748 ' HB2' HD23 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -125.45 117.65 24.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.099999999999994 110.898 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.17 141.14 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.898 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -144.28 127.01 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 65.409999999999997 111.111 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.42 ' HA ' HG23 ' A' ' 117' ' ' THR . 25.1 m -121.25 113.46 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 54.100000000000001 111.147 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -123.89 104.49 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 53.119999999999997 110.859 -179.861 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 2.7 m-20 77.19 -32.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.120000000000005 110.87 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 84' ' ' ASP . . . 70.71 58.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 61.420000000000002 111.098 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 119' ' ' THR . 4.2 m-85 -160.36 70.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 73.319999999999993 110.901 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 117' ' ' THR . 0.1 OUTLIER -54.91 149.07 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 54.539999999999999 110.916 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.1 -36.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 75.530000000000001 112.526 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.51 162.08 17.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 75.349999999999994 110.855 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.659 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.5 t -39.42 129.55 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 65.219999999999999 111.127 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.542 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -73.01 -24.34 60.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.120000000000005 110.909 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.659 HG22 ' OG1' ' A' ' 90' ' ' THR . 6.3 m -55.1 -23.32 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.140000000000001 111.13 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -49.12 53.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.219999999999999 110.913 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.564 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -66.76 -46.97 73.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 72.140000000000001 110.855 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.32 -37.37 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.884 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.75 -31.77 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 63.399999999999999 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 94' ' ' ARG . 17.4 mt -61.91 -49.73 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.905 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.534 HG21 ' HE2' ' A' ' 49' ' ' PHE . 29.5 pt -82.45 -32.59 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 73.219999999999999 111.087 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' ILE . 44.1 p90 38.24 45.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.909 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.89 -36.96 7.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 63.219999999999999 112.472 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.778 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 0.9 OUTLIER -76.72 62.37 1.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 74.230000000000004 110.936 -179.928 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.52 78.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.149999999999999 110.923 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -76.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 33.509999999999998 110.865 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -72.17 -32.79 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 72.420000000000002 110.856 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.01 -30.5 47.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 61.100000000000001 110.885 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -68.59 -37.68 80.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.859 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -59.45 -21.44 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.25 110.906 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.861 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -81.72 -53.38 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.349999999999994 111.101 179.831 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.66 6.76 28.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 34.340000000000003 112.508 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.861 HD11 ' HB1' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -121.9 144.25 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 74.209999999999994 110.948 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.557 ' C ' HG22 ' A' ' 75' ' ' THR . 39.2 m80 -53.53 178.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.883 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.589 ' CB ' HD11 ' A' ' 101' ' ' LEU . . . -153.88 151.06 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 43.310000000000002 111.091 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.85 132.62 54.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 71.299999999999997 110.891 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.778 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -128.88 136.01 49.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 111.121 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.2 mtt -124.0 118.43 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 110.856 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.431 ' CB ' HG13 ' A' ' 81' ' ' VAL . 5.7 t -123.93 121.56 35.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 51.229999999999997 111.155 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.421 ' HA ' ' HG2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -121.85 110.24 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 111.152 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.67 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.928 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 86' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 74.540000000000006 111.131 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 53' ' ' ASN . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.821 0.343 . . . . 73.319999999999993 111.118 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -38.39 51.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 72.329999999999998 112.507 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.88 -25.5 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 52.310000000000002 111.128 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.79 -29.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 60.240000000000002 111.152 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.85 99.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.914 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.310000000000002 110.826 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 15.2 pttt -62.8 -34.09 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 71.219999999999999 110.897 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.3 t -62.3 -41.97 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 111.112 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -58.82 -27.3 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.209999999999994 110.843 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.13 -20.38 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 111.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -29.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 111.058 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.3 -24.84 46.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.957 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.79 164.08 18.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 61.240000000000002 110.893 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 77.1 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 73.129999999999995 112.346 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -155.91 177.76 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 62.009999999999998 111.149 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -132.44 125.1 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.100000000000001 110.831 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' HE2' HG21 ' A' ' 98' ' ' ILE . 6.1 m-85 -117.27 120.86 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.25 110.879 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -111.0 114.3 27.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 71.200000000000003 110.902 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.633 ' HB2' HD23 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -127.78 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.430000000000007 110.914 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.1 pt -127.37 114.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.510000000000005 111.139 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 3.5 t-20 -110.91 126.01 54.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 64.549999999999997 110.881 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -65.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.878 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.68 160.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 71.319999999999993 110.825 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.200000000000003 110.849 179.955 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.756 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.2 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 52.43 111.127 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.58 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 70.030000000000001 110.873 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.415 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 56.0 t80 -108.02 134.13 51.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 63.240000000000002 110.871 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' A' ' 52' ' ' ILE . 5.5 ptm180 -151.21 136.89 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 63.130000000000003 110.875 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 51' ' ' LEU . 2.3 tm? -123.35 116.06 22.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.140000000000001 110.888 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.415 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -120.49 150.56 40.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 65.040000000000006 110.877 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -144.1 124.81 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 65.129999999999995 111.162 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -119.66 114.88 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 111.145 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.12 104.22 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 51.439999999999998 110.882 -179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.85 6.26 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 63.119999999999997 110.839 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.61 80.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 111.097 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.659 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.79 91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.439999999999998 110.844 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -78.75 148.63 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 64.420000000000002 110.874 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.74 -30.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 43.329999999999998 112.465 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.618 HD21 ' CD ' ' A' ' 118' ' ' LYS . 4.2 pp -93.48 161.26 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 74.209999999999994 110.927 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.42 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -42.06 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 73.430000000000007 111.095 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.558 ' HB2' HG23 ' A' ' 116' ' ' THR . 2.3 pt? -68.58 -34.86 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.400000000000006 110.954 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.7 m -59.96 -29.94 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 111.102 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.531 ' CE ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.96 -44.04 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 61.240000000000002 110.911 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -47.66 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 63.329999999999998 110.844 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -59.86 -37.47 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.450000000000003 110.85 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -73.06 -38.38 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.9 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.531 HD11 ' CE ' ' A' ' 93' ' ' LYS . 12.6 mt -51.93 -50.67 60.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 110.895 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.561 HG21 ' HE2' ' A' ' 49' ' ' PHE . 24.3 pt -77.97 -34.86 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 51.329999999999998 111.132 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 t80 46.05 49.26 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.040000000000006 110.925 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.9 -13.84 33.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 52.130000000000003 112.467 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -69.58 160.2 31.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 64.540000000000006 110.872 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.5 tp 65.15 100.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.439999999999998 110.916 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.77 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 64.209999999999994 110.824 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.4 -39.79 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 64.329999999999998 110.891 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.57 -43.39 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.120000000000005 110.879 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -58.45 -31.82 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.109999999999999 110.885 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -27.84 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 75.510000000000005 110.93 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.871 ' HB3' HD12 ' A' ' 110' ' ' LEU . . . -103.5 -25.14 13.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 111.111 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.02 4.14 90.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 53.240000000000002 112.493 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.871 HD12 ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -76.3 147.54 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 72.140000000000001 110.898 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -73.41 132.03 42.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.881 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -115.51 162.81 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 111.091 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.36 151.19 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 74.439999999999998 110.943 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.67 140.98 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 63.329999999999998 111.071 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.5 mtp -143.11 119.5 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 73.239999999999995 110.852 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' ' 91' ' ' LEU . 3.5 t -128.33 113.45 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 63.509999999999998 111.143 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.33 109.85 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 74.040000000000006 111.137 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.618 ' CD ' HD21 ' A' ' 89' ' ' LEU . 2.5 tttm -133.64 141.89 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 64.420000000000002 110.924 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.574 0.702 . . . . 64.450000000000003 111.149 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.2 mtp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.794 0.33 . . . . 65.010000000000005 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.81 177.6 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 70.010000000000005 110.924 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.48 131.94 3.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 33.439999999999998 112.492 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.19 132.79 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 72.019999999999996 110.832 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.35 158.34 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 75.019999999999996 110.88 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -169.34 167.91 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 74.299999999999997 110.818 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -175.87 147.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 70.099999999999994 110.829 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.34 135.31 2.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 70.319999999999993 110.855 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -167.72 101.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.340000000000003 110.846 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.67 119.23 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.030000000000001 110.857 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.82 -161.9 9.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 44.450000000000003 112.462 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.74 -179.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 64.209999999999994 110.87 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.94 128.08 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 75.230000000000004 110.853 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 p -129.89 144.32 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.230000000000004 111.129 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.64 134.58 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 70.420000000000002 111.065 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 p -115.42 162.29 17.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 110.866 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 p -114.28 175.42 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 54.030000000000001 110.87 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.8 pp -121.02 147.75 24.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.019999999999996 111.147 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.45 124.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.450000000000003 111.078 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.87 165.13 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.876 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -117.05 178.4 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.129999999999995 110.85 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.93 112.01 4.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 70.310000000000002 112.468 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.8 m -56.51 104.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 70.5 110.818 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.2 mmt -131.76 167.42 19.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 73.25 110.893 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.45 58.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 71.5 111.148 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -168.71 102.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 65.329999999999998 110.901 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -125.66 28.8 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.510000000000005 110.847 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.2 tm0? -142.73 156.98 45.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 72.25 110.906 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.97 82.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 54.520000000000003 110.921 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.9 72.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 33.310000000000002 112.499 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 138.86 38.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 60.119999999999997 112.311 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 14.5 mm -89.66 -70.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 64.439999999999998 111.112 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' O ' HG12 ' A' ' 36' ' ' ILE . . . 178.15 -83.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 73.209999999999994 111.103 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.67 83.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 63.130000000000003 112.471 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.675 ' HB1' HD13 ' A' ' 51' ' ' LEU . . . -63.84 -37.43 87.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 74.200000000000003 111.113 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -50.5 -31.15 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 111.127 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.52 99.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.510000000000005 110.847 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.63 ' OG ' HD12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -65.24 -43.7 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 61.310000000000002 110.873 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' A' ' 51' ' ' LEU . 4.3 mtmm -62.04 -40.64 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 70.219999999999999 110.938 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.0 t -55.07 -42.68 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 54.030000000000001 111.098 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -56.71 -27.16 58.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.859 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.62 -17.81 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.450000000000003 111.083 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.87 44.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 62.439999999999998 111.115 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.02 -20.49 39.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 54.039999999999999 110.921 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.59 164.41 15.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.68 0.752 . . . . 73.030000000000001 110.861 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.69 21.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 35.450000000000003 112.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -60.95 175.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 64.319999999999993 111.142 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -129.36 145.99 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.884 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.647 ' HE2' HD13 ' A' ' 98' ' ' ILE . 13.4 m-85 -132.02 121.3 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 70.329999999999998 110.881 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 70.5 110.906 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.675 HD13 ' HB1' ' A' ' 35' ' ' ALA . 5.2 tt -126.42 123.46 37.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.510000000000005 110.909 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.63 117.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 65.140000000000001 111.138 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -111.94 122.24 47.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 71.340000000000003 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.76 -44.03 5.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.420000000000002 110.929 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.68 155.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 70.239999999999995 110.85 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -136.91 100.23 4.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 75.409999999999997 110.854 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.53 -74.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.319999999999993 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -159.17 159.77 34.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 62.030000000000001 110.861 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.47 -169.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 65.129999999999995 111.12 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.0 -114.55 0.33 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 54.340000000000003 112.521 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -165.75 28.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 64.409999999999997 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -166.18 75.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 75.040000000000006 110.967 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -178.23 -75.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 65.409999999999997 111.083 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.25 -68.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.219999999999999 110.903 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.6 t0 55.38 54.03 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.329999999999998 110.879 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.25 61.48 6.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 71.150000000000006 112.488 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.21 136.54 52.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 63.009999999999998 110.847 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.2 t -130.8 25.13 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 63.539999999999999 111.141 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.55 99.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.349999999999994 111.088 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.8 t -147.8 -72.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 63.210000000000001 110.853 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.66 99.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 70.099999999999994 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.78 81.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 62.229999999999997 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.09 -25.48 1.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 74.230000000000004 112.516 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.478 ' C ' HG23 ' A' ' 75' ' ' THR . 15.9 tp10 -77.64 -55.63 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.924 0.392 . . . . 71.329999999999998 110.908 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.478 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.1 p 64.31 131.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 111.137 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.93 -14.44 8.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 72.239999999999995 110.83 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.447 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 51.2 t80 -114.39 135.18 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.319999999999993 110.852 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -147.67 142.88 27.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 75.450000000000003 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 51' ' ' LEU . 3.0 tm? -128.86 118.55 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 73.230000000000004 110.921 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -126.9 154.72 44.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 64.349999999999994 110.892 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.465 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.5 OUTLIER -144.54 133.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 70.510000000000005 111.099 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -119.97 114.7 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 61.310000000000002 111.154 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.21 103.88 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 74.230000000000004 110.838 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 68.0 6.32 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 74.340000000000003 110.914 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.1 79.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.540000000000006 111.139 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.7 83.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 74.329999999999998 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 138.48 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.430000000000007 110.891 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.63 -54.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 71.519999999999996 112.48 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -73.94 161.35 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 73.400000000000006 110.959 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.503 ' C ' HD22 ' A' ' 89' ' ' LEU . 34.1 p -46.37 100.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.150000000000006 111.132 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.536 ' HB2' HG23 ' A' ' 116' ' ' THR . 2.0 pt? -52.62 -31.73 38.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 74.439999999999998 110.928 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.451 ' H ' HD23 ' A' ' 91' ' ' LEU . 18.2 m -57.39 -20.88 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 73.129999999999995 111.119 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -49.26 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.219999999999999 110.882 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.523 ' HB2' HG21 ' A' ' 116' ' ' THR . 26.5 mmm180 -60.78 -47.46 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 61.439999999999998 110.922 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.411 ' NE2' HG22 ' A' ' 116' ' ' THR . 22.1 m-70 -60.7 -44.55 96.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 65.219999999999999 110.88 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.11 -32.47 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 74.439999999999998 110.936 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.72 -50.54 73.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.310000000000002 110.872 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.647 HD13 ' HE2' ' A' ' 49' ' ' PHE . 28.5 pt -83.66 -22.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 111.118 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ILE . 24.3 p90 37.56 55.26 1.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.961 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.78 -37.72 3.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 42.299999999999997 112.472 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.917 HD21 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -53.69 158.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 72.340000000000003 110.913 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp 65.52 37.03 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 73.140000000000001 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.2 p -116.46 -79.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 61.530000000000001 110.847 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.34 -25.31 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 54.119999999999997 110.86 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -35.71 75.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.851 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.3 -34.47 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.420000000000002 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.91 -24.98 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.99 23.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 53.439999999999998 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.33 -5.23 38.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 51.25 112.478 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.714 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.81 144.99 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 71.310000000000002 110.931 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -49.17 168.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.239999999999995 110.851 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -137.59 161.99 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 111.11 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.25 137.59 53.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.340000000000003 110.927 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.917 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -137.8 143.47 41.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 73.120000000000005 111.113 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.7 mtt -142.86 119.81 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.450000000000003 110.835 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 91' ' ' LEU . 5.6 t -118.48 124.18 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 61.210000000000001 111.122 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -120.52 117.33 27.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 52.020000000000003 111.145 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.87 147.98 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 65.319999999999993 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 84' ' ' ASP . 1.2 p -62.15 159.13 40.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 73.129999999999995 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.86 13.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 61.530000000000001 112.32 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.66 -18.26 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 31.109999999999999 111.081 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.36 112.58 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 71.239999999999995 110.892 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 64.340000000000003 110.938 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.802 0.334 . . . . 74.400000000000006 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.72 -173.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 72.150000000000006 110.872 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.69 -178.89 32.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 52.409999999999997 112.461 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -138.59 -171.49 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 65.319999999999993 110.88 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -152.25 172.97 15.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 71.109999999999999 110.865 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -172.83 156.11 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -150.33 179.57 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.010000000000005 110.861 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.6 165.53 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 62.25 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -158.78 122.0 3.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 74.549999999999997 110.85 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -134.41 177.26 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 71.530000000000001 110.86 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.52 142.24 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 73.129999999999995 112.517 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.76 153.77 4.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 54.450000000000003 110.842 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -175.86 116.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 64.510000000000005 110.853 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.18 157.3 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.450000000000003 111.112 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 tt -162.98 140.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 70.400000000000006 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.51 133.55 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 24.350000000000001 110.849 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 p -172.01 96.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 64.200000000000003 110.865 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.03 143.18 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 72.450000000000003 111.128 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -178.22 162.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 62.409999999999997 111.065 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -175.71 126.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 72.439999999999998 110.848 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -174.17 170.51 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 63.039999999999999 110.894 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.02 117.62 1.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 72.099999999999994 112.497 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.21 151.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 73.540000000000006 110.816 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -142.91 -72.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 61.310000000000002 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.06 101.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 111.106 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.34 177.83 7.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.030000000000001 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -164.86 -71.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 75.349999999999994 110.892 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -131.74 127.11 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 63.140000000000001 110.911 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -136.25 101.81 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 64.519999999999996 110.904 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.71 68.71 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.099999999999994 112.504 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.532 ' HA ' HD13 ' A' ' 36' ' ' ILE . 53.9 Cg_endo -69.71 137.7 36.24 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 74.129999999999995 112.36 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 pt -120.2 -32.38 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 72.510000000000005 111.156 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -130.3 149.08 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 54.020000000000003 111.11 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.01 -40.63 66.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 43.140000000000001 112.557 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.28 -26.62 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 72.120000000000005 111.087 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.725 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.1 tt -51.97 -32.0 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 73.140000000000001 111.097 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -66.84 -37.2 84.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 64.200000000000003 110.872 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 m -65.08 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 63.149999999999999 110.813 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 2.8 ptmt -63.73 -33.67 76.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 43.030000000000001 110.946 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 36' ' ' ILE . 41.8 t -59.48 -42.22 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 72.140000000000001 111.124 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -26.69 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.030000000000001 110.877 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.26 -21.6 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 71.420000000000002 111.172 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -61.17 -23.47 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 31.23 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.46 -19.74 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 55.409999999999997 110.906 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.66 157.9 36.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.656 0.741 . . . . 73.239999999999995 110.868 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 77.74 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 70.150000000000006 112.369 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.4 ' HG1' ' H ' ' A' ' 48' ' ' HIS . 12.5 t -152.86 -171.39 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 53.140000000000001 111.162 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.4 ' H ' ' HG1' ' A' ' 47' ' ' THR . 3.5 t60 -128.39 146.28 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 73.510000000000005 110.833 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 8.2 p90 -133.92 133.41 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 74.310000000000002 110.872 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.56 115.63 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 73.129999999999995 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -126.29 120.32 29.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 61.030000000000001 110.927 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.505 HD11 ' CD ' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.24 116.91 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.430000000000007 111.098 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -108.83 122.74 47.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.519999999999996 110.859 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.95 -45.5 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 43.219999999999999 110.866 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.86 -169.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 42.32 110.9 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -132.44 135.83 46.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 110.851 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -120.6 -72.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 63.109999999999999 110.965 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.5 157.82 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.439999999999998 110.872 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 57.42 -176.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 62.240000000000002 111.093 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.85 -22.46 33.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 74.209999999999994 112.471 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -146.42 40.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 74.310000000000002 110.903 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -77.23 92.28 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.917 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.19 -56.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 72.420000000000002 111.085 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? 52.71 76.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 64.219999999999999 110.846 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -176.64 53.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 64.239999999999995 110.891 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.76 72.1 1.28 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.732 . . . . 63.130000000000003 112.475 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 p -104.36 27.15 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 60.530000000000001 110.881 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.5 m 72.55 -68.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 74.540000000000006 111.097 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.28 98.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 61.119999999999997 111.095 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 t -143.75 -54.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 61.530000000000001 110.85 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 52.89 47.62 24.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 64.439999999999998 110.863 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.15 -42.35 4.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.349999999999994 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -112.54 37.29 3.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 51.409999999999997 112.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' C ' HG23 ' A' ' 75' ' ' THR . 1.1 tp10 -132.9 -66.46 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.971 0.415 . . . . 64.439999999999998 110.887 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.518 HG21 HD23 ' A' ' 113' ' ' LEU . 1.2 p 61.52 162.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 73.209999999999994 111.135 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -124.92 -29.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.509999999999998 110.858 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 51' ' ' LEU . 19.0 t80 -112.42 138.0 49.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 74.200000000000003 110.924 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.505 ' CD ' HD11 ' A' ' 52' ' ' ILE . 2.2 ptm180 -147.15 141.93 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.409999999999997 110.898 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.931 HD23 HD12 ' A' ' 51' ' ' LEU . 3.3 tm? -131.33 123.7 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.310000000000002 110.877 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.85 140.52 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 50.140000000000001 110.842 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 ' HD3' ' A' ' 94' ' ' ARG . 3.5 m -124.58 139.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 73.120000000000005 111.144 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -120.09 114.48 22.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 111.141 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.93 105.56 14.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 53.229999999999997 110.852 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.38 6.9 5.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 62.020000000000003 110.846 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.92 77.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 42.240000000000002 111.073 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.484 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER 178.54 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 73.019999999999996 110.861 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.59 141.06 55.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 110.82 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.6 -40.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 70.439999999999998 112.491 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.96 160.61 14.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 71.549999999999997 110.901 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.777 ' OG1' HG22 ' A' ' 92' ' ' VAL . 9.0 t -43.61 124.81 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.319999999999993 111.191 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.9 pt? -71.92 -27.35 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 110.919 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.777 HG22 ' OG1' ' A' ' 90' ' ' THR . 4.0 m -60.53 -18.14 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 73.120000000000005 111.131 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -50.26 65.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 65.540000000000006 110.893 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.491 ' HD3' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -68.19 -47.96 66.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 110.883 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -59.08 -34.97 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.855 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.36 -34.51 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 110.938 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 94' ' ' ARG . 26.0 mt -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.200000000000003 110.905 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.7 pt -81.84 -31.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 63.119999999999997 111.149 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.0 p90 38.82 41.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 65.109999999999999 110.926 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -83.81 -32.16 24.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 64.319999999999993 112.508 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -51.23 161.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 72.420000000000002 110.874 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.1 tp 63.85 91.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 72.120000000000005 110.891 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.43 -74.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.812 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -72.29 -40.86 67.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.530000000000001 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.48 -31.51 46.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 73.200000000000003 110.852 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -39.97 92.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 71.450000000000003 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -59.6 -20.38 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.936 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.422 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -101.88 -38.9 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.120000000000005 111.118 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.14 11.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 65.230000000000004 112.514 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 110' ' ' LEU . 1.2 mm? -114.51 140.08 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 65.25 110.925 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.884 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.44 161.0 38.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 52.409999999999997 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.518 HD23 HG21 ' A' ' 75' ' ' THR . 0.2 OUTLIER -125.76 150.88 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 61.109999999999999 110.912 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.629 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -136.65 128.26 28.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.519999999999996 111.146 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.423 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.8 mtt -142.36 118.92 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 75.310000000000002 110.897 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 81' ' ' VAL . 7.5 p -121.25 126.35 49.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 72.109999999999999 111.167 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.62 109.62 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 111.138 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 146.18 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 110.859 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.484 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -84.49 133.44 44.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 75.230000000000004 111.127 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.52 14.3 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 72.409999999999997 112.327 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.27 14.2 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 70.129999999999995 111.108 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.67 125.24 50.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 71.140000000000001 110.892 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.129999999999995 110.951 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.783 0.325 . . . . 71.030000000000001 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 60.06 -177.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 75.299999999999997 110.896 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.23 126.0 2.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 70.25 112.464 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.27 162.32 35.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 63.119999999999997 110.867 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -173.98 165.45 4.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 73.209999999999994 110.85 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -164.51 154.88 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.329999999999998 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.74 173.55 11.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 60.130000000000003 110.84 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.21 166.62 30.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 63.450000000000003 110.841 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -128.85 157.55 41.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 72.120000000000005 110.859 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -173.11 -170.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.319999999999993 110.863 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.06 -173.82 40.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 71.230000000000004 112.519 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.66 -174.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 72.030000000000001 110.878 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.89 -173.92 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 110.838 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.1 p -163.52 138.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 74.209999999999994 111.165 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.9 mt -96.14 111.41 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.549999999999997 111.095 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -99.28 133.41 43.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.530000000000001 110.831 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -105.44 -179.54 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 73.329999999999998 110.855 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 tt -165.9 142.23 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 51.539999999999999 111.119 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -166.1 143.79 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 63.32 111.096 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.1 153.89 48.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 64.310000000000002 110.848 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -144.49 176.49 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 72.329999999999998 110.85 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.42 104.86 1.07 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 63.329999999999998 112.508 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 p -147.06 176.18 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 45.439999999999998 110.868 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 63.29 161.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.209999999999994 110.861 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -178.18 86.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 73.239999999999995 111.089 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.21 153.92 46.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 72.200000000000003 110.851 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -153.93 179.93 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 73.319999999999993 110.851 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -140.46 162.86 34.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 70.450000000000003 110.911 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mt -129.75 173.73 10.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 71.150000000000006 110.965 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.41 70.41 1.01 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 74.230000000000004 112.518 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 177.13 5.93 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 73.400000000000006 112.294 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 36' ' ' ILE . 62.0 mt -135.27 -70.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 65.409999999999997 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB1' ' HB2' ' A' ' 104' ' ' ASP . . . -125.73 170.33 11.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.310000000000002 111.096 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.61 -37.72 50.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 74.319999999999993 112.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.533 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.21 -25.84 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 71.230000000000004 111.099 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -51.45 -31.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.299999999999997 111.087 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -37.73 86.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 53.109999999999999 110.9 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.5 m -64.87 -48.1 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.040000000000006 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.430000000000007 110.902 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 36' ' ' ILE . 37.4 t -60.66 -42.33 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 111.119 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.0 -33.83 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.329999999999998 110.877 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HB1' HH12 ' A' ' 94' ' ' ARG . . . -70.72 -19.92 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 62.310000000000002 111.093 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.52 -29.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.26 -20.18 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 71.519999999999996 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.0 164.46 15.48 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.679 0.752 . . . . 75.140000000000001 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -14.4 35.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 53.130000000000003 112.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.686 HG21 ' NH1' ' A' ' 94' ' ' ARG . 12.9 t -59.23 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 65.439999999999998 111.109 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -128.7 139.97 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 55.030000000000001 110.888 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -123.32 133.16 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 63.439999999999998 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.6 114.99 18.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 72.299999999999997 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.088 HD12 HD23 ' A' ' 79' ' ' LEU . 4.0 tt -126.67 120.12 28.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 65.040000000000006 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.2 pp -126.77 116.11 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 63.119999999999997 111.151 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.76 122.02 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 63.420000000000002 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 -33.71 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.857 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.2 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 72.329999999999998 110.843 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -121.62 93.52 4.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 110.869 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -74.02 -62.32 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 61.310000000000002 110.921 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.83 160.45 43.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.510000000000005 110.903 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.33 -32.02 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 61.240000000000002 111.054 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.12 -158.32 27.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 65.200000000000003 112.52 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -126.65 35.92 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 74.25 110.881 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -131.88 100.49 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 63.329999999999998 110.937 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.71 97.3 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 75.340000000000003 111.151 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -43.63 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 73.409999999999997 110.866 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.6 t70 64.28 23.93 13.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 71.140000000000001 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.9 83.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 55.350000000000001 112.536 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.79 146.15 39.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 73.129999999999995 110.831 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.0 t -93.9 -32.57 13.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 73.420000000000002 111.141 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 56.76 -170.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 61.350000000000001 111.091 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 t -160.6 -67.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.230000000000004 110.833 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 57.97 46.11 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.409999999999997 110.843 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.68 -24.63 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.510000000000005 111.063 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.54 24.87 3.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 65.340000000000003 112.486 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' C ' HG23 ' A' ' 75' ' ' THR . 1.6 tt0 -98.05 -74.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 70.329999999999998 110.912 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.462 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.1 p 63.96 144.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.420000000000002 111.14 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -122.09 -23.88 5.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.129999999999995 110.811 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -112.91 140.68 47.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 72.129999999999995 110.891 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 52' ' ' ILE . 2.1 ptm180 -147.71 140.18 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 51.329999999999998 110.855 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.088 HD23 HD12 ' A' ' 51' ' ' LEU . 2.0 tm? -128.72 118.36 22.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 70.439999999999998 110.933 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -133.33 138.85 46.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.140000000000001 110.912 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.34 135.25 63.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.319999999999993 111.093 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.412 ' HA ' HG23 ' A' ' 117' ' ' THR . 73.3 m -118.61 114.26 22.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 65.230000000000004 111.159 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.61 107.83 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.239999999999995 110.894 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.65 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER 68.75 4.08 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 73.219999999999999 110.862 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.83 81.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.030000000000001 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -176.73 57.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 63.219999999999999 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 145.39 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.200000000000003 110.857 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.57 -90.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 53.539999999999999 112.501 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -117.43 160.29 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 74.319999999999993 110.919 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 p 58.11 33.29 23.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 111.147 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -72.27 -34.4 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 64.329999999999998 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.25 -24.26 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 63.200000000000003 111.147 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 2.1 tttm -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.230000000000004 110.914 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.686 ' NH1' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -66.78 -48.97 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 70.420000000000002 110.883 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.8 -38.11 86.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 53.100000000000001 110.888 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.21 -38.04 63.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 72.209999999999994 110.92 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.425 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.7 mt -51.77 -50.53 60.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.200000000000003 110.921 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.424 HD12 HD11 ' A' ' 79' ' ' LEU . 10.0 pt -77.94 -40.58 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 64.299999999999997 111.107 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.7 t80 44.58 58.5 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.530000000000001 110.885 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.56 -35.22 4.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 72.400000000000006 112.499 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 112' ' ' ALA . 35.4 tp -50.69 158.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 52.130000000000003 110.931 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.38 87.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 70.540000000000006 110.924 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.35 -77.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 55.299999999999997 110.84 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.562 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 26.3 t0 -78.6 -32.84 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.340000000000003 110.85 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.81 -31.27 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 62.219999999999999 110.875 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -63.09 -42.17 99.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.530000000000001 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -61.95 -18.28 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.83 -38.62 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 53.240000000000002 111.079 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.21 -7.06 40.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 52.020000000000003 112.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.733 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.35 143.09 48.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 71.049999999999997 110.906 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.99 177.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 110.831 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.596 ' HB3' HD11 ' A' ' 101' ' ' LEU . . . -130.94 161.06 32.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 63.43 111.049 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 75' ' ' THR . 0.7 OUTLIER -122.51 128.94 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 65.549999999999997 110.921 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.0 140.14 45.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 62.229999999999997 111.117 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.11 120.5 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.239999999999995 110.887 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.2 t -107.57 129.18 55.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 63.219999999999999 111.143 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.412 HG23 ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -120.96 107.63 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 52.229999999999997 111.17 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.4 144.36 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.030000000000001 110.852 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -46.0 160.17 0.3 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 72.230000000000004 111.157 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.455 ' HB3' HD12 ' A' ' 89' ' ' LEU . 53.8 Cg_endo -69.77 176.38 6.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 74.150000000000006 112.376 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.58 -18.2 19.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 63.020000000000003 111.093 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.71 95.53 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 74.150000000000006 110.884 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 74.219999999999999 110.928 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.749 0.309 . . . . 35.109999999999999 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -85.75 160.97 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 71.439999999999998 110.88 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.42 -110.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 55.25 112.539 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 62.35 173.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 64.420000000000002 110.848 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -175.82 131.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.010000000000005 110.888 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 130.0 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 70.209999999999994 110.863 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -123.5 138.03 54.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 74.540000000000006 110.849 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.18 152.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -157.93 -68.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 75.450000000000003 110.819 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 m170 58.56 -175.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 74.310000000000002 110.832 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.05 -113.0 3.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 74.430000000000007 112.484 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 p 59.48 -175.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 74.530000000000001 110.868 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.79 170.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 74.010000000000005 110.861 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -139.81 149.3 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 61.32 111.088 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -134.27 141.14 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.030000000000001 111.132 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -95.33 156.39 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 110.856 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.46 162.59 31.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 53.32 110.877 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.1 pt -103.13 173.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 62.25 111.16 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.13 172.81 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 41.130000000000003 111.077 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -131.68 -58.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 74.299999999999997 110.898 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.18 161.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 74.239999999999995 110.855 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.72 105.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 62.329999999999998 112.511 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 t -155.91 128.6 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 64.129999999999995 110.879 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 ttt -170.81 100.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 64.109999999999999 110.855 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.74 178.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 62.130000000000003 111.107 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -116.59 138.56 51.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.869 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.62 -177.54 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.420000000000002 110.87 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -157.01 161.86 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 71.540000000000006 110.912 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 tp -175.1 136.65 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 75.319999999999993 110.923 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.23 67.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.796 -0.716 . . . . 64.030000000000001 112.513 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 143.85 52.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 60.149999999999999 112.328 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' H ' HD13 ' A' ' 36' ' ' ILE . 78.7 mt -127.22 -65.85 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.229999999999997 111.135 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.68 170.94 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 71.450000000000003 111.15 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -39.68 96.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 70.299999999999997 112.495 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.23 65.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 73.519999999999996 111.138 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -50.95 -30.69 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.549999999999997 111.125 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 61.100000000000001 110.877 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -65.03 -48.05 75.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 63.119999999999997 110.89 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -63.31 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.239999999999995 110.913 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 36' ' ' ILE . 30.8 t -61.65 -40.45 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 61.520000000000003 111.096 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.13 -32.72 66.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.510000000000005 110.842 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.28 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 54.310000000000002 111.102 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -59.61 -22.08 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 72.450000000000003 111.055 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.53 -19.97 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.310000000000002 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.471 ' OG ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -108.12 164.41 14.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 64.340000000000003 110.866 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -5.97 17.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.696 2.264 . . . . 72.340000000000003 112.353 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.471 HG22 ' OG ' ' A' ' 45' ' ' SER . 13.4 t -57.75 -175.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 71.040000000000006 111.169 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.407 ' H ' ' HG1' ' A' ' 47' ' ' THR . 4.7 t-80 -128.53 129.2 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.409999999999997 110.873 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 13.2 p90 -122.39 127.4 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.847 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.88 114.79 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 74.310000000000002 110.901 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.653 HD12 HD23 ' A' ' 79' ' ' LEU . 1.3 tt -126.79 120.38 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 52.030000000000001 110.877 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.74 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.08 114.06 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 55.539999999999999 111.123 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.92 123.12 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 72.150000000000006 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -37.74 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.25 110.818 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' A' ' 108' ' ' ALA . 5.8 t 50.69 -168.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.875 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -139.13 106.18 5.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 60.109999999999999 110.883 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -128.2 -66.8 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 73.299999999999997 110.896 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -108.83 160.75 15.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.540000000000006 110.854 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.97 71.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 62.119999999999997 111.082 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.52 35.63 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 64.540000000000006 112.508 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.4 t60 61.59 29.03 18.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 74.540000000000006 110.902 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 62.84 170.39 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 73.040000000000006 110.9 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.01 98.24 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 73.340000000000003 111.109 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.02 -26.03 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 72.439999999999998 110.862 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -167.25 48.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.340000000000003 110.861 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.36 -32.22 6.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 72.019999999999996 112.504 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 t 58.85 73.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 72.319999999999993 110.889 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -51.44 -32.51 27.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 111.2 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 62.91 -170.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 54.509999999999998 111.118 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.43 -57.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 64.239999999999995 110.837 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.55 -169.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 71.400000000000006 110.877 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.12 71.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 65.340000000000003 111.061 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.72 -24.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 41.119999999999997 112.511 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.482 ' C ' HG23 ' A' ' 75' ' ' THR . 10.6 tt0 -102.97 -43.1 5.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 73.230000000000004 110.876 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.794 HG21 HD21 ' A' ' 113' ' ' LEU . 0.9 OUTLIER 62.79 153.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.230000000000004 111.142 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -129.34 -32.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.866 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -112.87 134.02 54.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 110.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.74 ' HD2' HD11 ' A' ' 52' ' ' ILE . 1.9 ptm180 -149.61 143.24 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 73.230000000000004 110.878 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 51' ' ' LEU . 3.3 tm? -130.54 118.08 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.911 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.01 141.45 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 73.420000000000002 110.825 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -136.25 126.15 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 72.329999999999998 111.167 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -119.83 114.06 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 111.121 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.329999999999998 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.68 7.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.010000000000005 110.84 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.19 77.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 64.540000000000006 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.511 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 177.77 86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 62.240000000000002 110.862 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.56 143.56 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.439999999999998 110.873 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.67 -42.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 64.239999999999995 112.483 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -96.23 161.41 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 71.319999999999993 110.896 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.9 t -41.51 127.28 3.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 71.019999999999996 111.135 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.542 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.1 pt? -71.75 -24.64 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 110.901 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.693 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.0 m -55.86 -26.88 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 61.119999999999997 111.117 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.466 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 5.8 tmtm? -69.18 -50.76 44.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.540000000000006 110.857 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -47.95 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 110.852 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.91 -36.63 77.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 73.540000000000006 110.87 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -73.59 -37.31 65.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.230000000000004 110.933 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.466 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.7 mt -52.56 -51.71 58.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 110.914 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.1 pt -79.22 -40.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 64.030000000000001 111.137 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 t80 41.5 59.05 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 63.200000000000003 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.44 -37.14 3.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 60.149999999999999 112.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 162.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 71.409999999999997 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.81 99.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 62.039999999999999 110.904 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.85 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 63.329999999999998 110.858 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.19 -40.58 30.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 72.200000000000003 110.893 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.439999999999998 110.883 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.27 -48.09 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 61.149999999999999 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -59.17 -19.7 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.140000000000001 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.77 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -89.21 -58.22 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.310000000000002 111.074 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 106.82 19.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 74.420000000000002 112.503 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.77 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 0.6 OUTLIER -112.28 140.53 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 64.340000000000003 110.918 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.9 166.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.340000000000003 110.834 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.599 ' C ' HD23 ' A' ' 113' ' ' LEU . . . -141.07 162.69 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 43.539999999999999 111.101 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.794 HD21 HG21 ' A' ' 75' ' ' THR . 0.8 OUTLIER -121.24 149.62 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.200000000000003 110.944 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.21 118.57 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.239999999999995 111.07 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.3 mtp -142.31 118.94 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.209999999999994 110.882 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.472 ' CB ' HG13 ' A' ' 81' ' ' VAL . 5.3 t -128.53 116.25 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.149 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 t -121.31 108.3 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 54.539999999999999 111.136 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -124.29 149.95 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.109999999999999 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.7 OUTLIER -100.6 132.59 22.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.575 0.703 . . . . 74.409999999999997 111.144 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.758 ' HB3' HD11 ' A' ' 89' ' ' LEU . 53.3 Cg_endo -69.76 -177.56 1.93 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.722 2.282 . . . . 54.409999999999997 112.33 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.48 -18.29 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.010000000000005 111.095 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.02 119.67 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 75.129999999999995 110.851 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 74.540000000000006 110.871 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.762 0.315 . . . . 74.530000000000001 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -143.78 167.71 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.239999999999995 110.858 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.6 126.82 0.84 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 44.119999999999997 112.518 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.3 m -137.59 124.96 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 43.43 110.873 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -110.29 135.08 51.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 72.310000000000002 110.868 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -148.7 155.87 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.864 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -170.62 97.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -114.2 142.19 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 64.430000000000007 110.849 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -110.23 168.99 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 73.420000000000002 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -176.69 169.23 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 63.130000000000003 110.868 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.11 136.65 2.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 73.310000000000002 112.511 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.67 142.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 71.010000000000005 110.826 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -110.91 161.9 15.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 63.299999999999997 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -151.02 176.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.340000000000003 111.136 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 tp -171.45 140.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 71.329999999999998 111.17 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 p -147.07 175.9 10.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.400000000000006 110.876 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.91 -177.55 6.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 52.219999999999999 110.866 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 tt -175.52 138.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 74.310000000000002 111.186 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.74 178.9 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 55.109999999999999 111.119 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.91 141.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.140000000000001 110.848 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -121.9 167.69 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 72.209999999999994 110.859 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.63 -151.88 11.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 64.109999999999999 112.469 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -179.11 157.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 75.099999999999994 110.875 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.6 ttm -172.76 117.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 54.439999999999998 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.09 161.98 40.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 71.540000000000006 111.082 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -144.03 -67.9 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.439999999999998 110.862 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 58.72 71.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.530000000000001 110.835 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.91 103.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.329999999999998 110.946 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.512 HD23 ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -178.0 113.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 60.32 110.906 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.22 67.39 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 73.120000000000005 112.518 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.512 ' HD3' HD23 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.78 127.09 14.07 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 75.420000000000002 112.331 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.591 ' H ' HD13 ' A' ' 36' ' ' ILE . 9.1 tt -117.4 -27.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.049999999999997 111.147 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -137.23 151.7 49.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.439999999999998 111.114 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.46 -39.0 52.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.130000000000003 112.486 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.45 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.309 . . . . 54.210000000000001 111.095 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.591 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -51.78 -32.85 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 65.099999999999994 111.131 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -42.01 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.099999999999994 110.877 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -64.74 -43.56 92.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.509999999999998 110.836 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -33.94 75.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 70.5 110.868 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.17 -42.24 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.450000000000003 111.102 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.68 ' O ' HD22 ' A' ' 44' ' ' LEU . 34.0 mm-40 -55.17 -30.91 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.510000000000005 110.92 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.37 -23.88 27.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 63.140000000000001 111.06 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.92 -34.29 77.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 70.420000000000002 111.075 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -60.57 -18.22 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 73.209999999999994 110.877 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.652 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -103.36 161.8 21.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.686 0.755 . . . . 73.439999999999998 110.857 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 95.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 75.230000000000004 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -176.21 -167.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.129999999999995 111.091 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 143.77 51.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.530000000000001 110.841 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -133.43 128.63 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 73.439999999999998 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -127.52 113.21 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.230000000000004 110.933 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.871 HD12 HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -128.06 119.42 25.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.530000000000001 110.92 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.33 115.61 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 74.099999999999994 111.092 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -110.76 123.43 50.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 72.549999999999997 110.932 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.74 38.81 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -46.55 152.92 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 44.109999999999999 110.855 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -148.99 161.43 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.109999999999999 110.844 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -86.98 -74.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.299999999999997 110.909 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -157.7 162.67 38.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 110.879 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.14 -58.47 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 63.43 111.103 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.45 -169.17 42.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 71.409999999999997 112.507 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -116.21 55.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 74.219999999999999 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.52 54.97 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.450000000000003 110.935 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -178.07 -74.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 111.09 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.71 61.37 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.84 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -177.21 77.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 75.319999999999993 110.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.37 114.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 52.530000000000001 112.479 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.8 p -109.41 128.15 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 64.230000000000004 110.861 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.5 t -105.79 -25.36 12.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 74.129999999999995 111.154 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.81 -175.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 64.349999999999994 111.072 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.8 t -169.16 49.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 64.319999999999993 110.882 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.08 73.52 10.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 70.209999999999994 110.824 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.08 -36.91 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 32.539999999999999 111.063 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -136.04 33.52 2.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 51.409999999999997 112.493 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -102.95 -67.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 72.239999999999995 110.906 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 p 51.52 -170.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 53.109999999999999 111.128 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 110' ' ' LEU . 23.5 p80 -175.76 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.863 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.401 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 53.4 t80 -106.59 133.77 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.905 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -148.82 143.88 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 72.239999999999995 110.879 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.871 HD23 HD12 ' A' ' 51' ' ' LEU . 3.4 tm? -131.78 118.76 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.129999999999995 110.928 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 142.69 49.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 62.219999999999999 110.912 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 94' ' ' ARG . 3.4 m -128.96 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 61.439999999999998 111.188 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.455 ' HA ' HG23 ' A' ' 117' ' ' THR . 20.8 m -120.51 113.51 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.040000000000006 111.115 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.22 107.74 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.843 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.86 6.47 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.219999999999999 110.876 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.71 82.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 71.109999999999999 111.1 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.409 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 179.86 80.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.837 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 130.84 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.239999999999995 110.876 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.98 -62.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 44.130000000000003 112.471 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.53 160.19 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 53.329999999999998 110.902 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.734 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.0 t -45.87 127.74 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 73.219999999999999 111.16 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -71.81 -32.95 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.140000000000001 110.933 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.734 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.8 m -56.99 -22.18 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.549999999999997 111.115 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.409 ' CB ' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -66.87 -49.05 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 72.120000000000005 110.888 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.52 ' HG2' HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -67.2 -48.6 67.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 72.230000000000004 110.876 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.533 ' HD2' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.07 -30.04 70.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.439999999999998 110.795 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.94 -45.28 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 54.509999999999998 110.924 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.3 mt -52.83 -50.21 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 52.439999999999998 110.937 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 25.4 pt -82.22 -25.07 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 55.509999999999998 111.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.6 p90 37.93 43.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 63.210000000000001 110.941 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.41 -24.67 62.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 64.510000000000005 112.528 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' CB ' ' A' ' 114' ' ' ALA . 7.2 mp -58.1 155.71 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 73.010000000000005 110.894 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.57 105.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 65.420000000000002 110.861 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.42 -74.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 42.399999999999999 110.852 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -77.32 -41.66 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 71.230000000000004 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.4 ' HA ' ' CE1' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -54.1 -30.58 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 70.120000000000005 110.917 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -62.97 -27.95 69.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 74.519999999999996 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -79.5 -19.52 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 75.329999999999998 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -94.73 -45.19 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.030000000000001 111.079 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.563 ' O ' HD13 ' A' ' 110' ' ' LEU . . . 105.7 18.56 11.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 71.299999999999997 112.482 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 76' ' ' HIS . 0.4 OUTLIER -121.32 137.09 54.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 74.319999999999993 110.937 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.18 179.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.549999999999997 110.918 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -147.56 161.19 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 63.450000000000003 111.123 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.57 146.91 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.109999999999999 110.9 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.645 ' CB ' HD21 ' A' ' 101' ' ' LEU . . . -141.58 143.5 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 63.140000000000001 111.123 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.405 ' HA ' HD12 ' A' ' 91' ' ' LEU . 8.7 mtm -142.47 120.11 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.924 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.45 ' HB ' HG22 ' A' ' 81' ' ' VAL . 10.7 p -116.03 125.48 52.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 55.399999999999999 111.124 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.455 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.8 t -120.22 109.81 15.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 73.530000000000001 111.098 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.82 144.92 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 61.520000000000003 110.899 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.409 HG23 ' HB2' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -56.18 159.32 6.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 52.200000000000003 111.17 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -173.18 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.664 2.242 . . . . 71.25 112.382 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.33 -18.18 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 52.119999999999997 111.127 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -99.76 121.19 40.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.120000000000005 110.869 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 74.239999999999995 110.922 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.792 0.33 . . . . 70.150000000000006 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.51 169.44 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.864 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.61 168.68 31.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.679 -0.772 . . . . 53.130000000000003 112.454 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.82 163.12 11.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 41.32 110.865 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -171.78 151.24 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.420000000000002 110.9 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -127.7 165.94 19.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 60.140000000000001 110.844 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.82 174.66 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 73.219999999999999 110.809 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.51 163.28 33.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 71.349999999999994 110.855 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -178.84 167.98 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 60.140000000000001 110.869 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -165.82 173.28 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.868 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 154.87 152.24 6.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 51.240000000000002 112.525 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.97 149.8 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 74.349999999999994 110.847 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.47 158.71 6.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 75.099999999999994 110.851 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -148.93 154.17 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.400000000000006 111.149 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.479 HD13 ' N ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -170.57 145.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 72.530000000000001 111.122 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.479 ' N ' HD13 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -171.23 112.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 110.889 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.06 119.78 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 71.120000000000005 110.831 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -134.26 148.62 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 72.120000000000005 111.125 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -166.63 112.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 43.130000000000003 111.108 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -154.81 123.11 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 61.140000000000001 110.863 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 -166.64 143.24 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 73.129999999999995 110.85 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.99 160.42 18.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 64.239999999999995 112.492 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.5 p -177.92 137.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 74.129999999999995 110.823 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.1 136.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 73.109999999999999 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -178.21 136.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 34.439999999999998 111.116 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -165.72 176.41 8.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 74.299999999999997 110.916 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.34 -170.08 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 110.909 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.578 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -162.33 158.54 24.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 61.340000000000003 110.921 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -179.11 156.75 0.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 72.049999999999997 110.919 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.76 166.07 26.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 71.430000000000007 112.479 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 163.54 37.89 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.65 2.233 . . . . 74.409999999999997 112.301 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.579 ' N ' HD13 ' A' ' 36' ' ' ILE . 54.5 mt -143.08 -69.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 64.209999999999994 111.13 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -127.97 168.08 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 62.32 111.099 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -37.63 50.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 61.240000000000002 112.492 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.27 -26.51 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 72.120000000000005 111.112 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -51.81 -31.55 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.219999999999999 111.147 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -62.97 -40.69 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.540000000000006 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -64.88 -45.28 86.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.129999999999995 110.848 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.22 -33.69 76.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.230000000000004 110.936 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.4 t -62.22 -38.56 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 111.085 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -26.93 68.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.39 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 65.409999999999997 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -60.76 -26.33 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 74.540000000000006 111.116 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.65 -26.94 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 61.399999999999999 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.42 160.48 26.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.693 0.758 . . . . 72.319999999999993 110.848 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.652 2.235 . . . . 63.130000000000003 112.336 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -175.9 -171.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.230000000000004 111.142 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -128.1 143.19 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 74.040000000000006 110.872 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 6.1 p90 -132.39 129.16 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.530000000000001 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 111.76 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 73.209999999999994 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tt -129.08 116.52 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 64.209999999999994 110.916 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.15 114.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 65.409999999999997 111.136 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.659 HD21 HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -114.07 100.69 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 45.219999999999999 110.92 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -36.03 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 110.874 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.36 159.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.839 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -119.26 105.78 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 74.439999999999998 110.854 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -63.55 179.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 71.450000000000003 110.876 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -121.65 170.1 10.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.868 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -174.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 73.439999999999998 111.076 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.4 -98.15 0.97 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 74.299999999999997 112.451 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -138.55 50.95 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 74.140000000000001 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -136.91 -72.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.109999999999999 110.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 51.96 -169.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 72.120000000000005 111.112 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 62.66 92.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 71.319999999999993 110.848 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -157.65 -43.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 72.310000000000002 110.895 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.53 103.11 0.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 64.129999999999995 112.428 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.67 152.47 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.964 0.411 . . . . 63.520000000000003 110.858 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -113.13 -27.06 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 63.539999999999999 111.116 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.74 99.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 111.132 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -165.58 51.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 72.049999999999997 110.91 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.42 107.46 15.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 74.239999999999995 110.867 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.29 25.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 62.020000000000003 111.127 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -142.26 19.27 2.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.727 . . . . 73.450000000000003 112.498 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' C ' HG23 ' A' ' 75' ' ' THR . 14.9 tp10 -126.15 -56.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 54.210000000000001 110.86 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.463 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.79 129.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 61.130000000000003 111.118 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.24 -14.46 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.109999999999999 110.899 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.433 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 8.5 t80 -112.55 136.13 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 61.509999999999998 110.845 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -146.69 143.02 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.299999999999997 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -132.91 118.38 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.140000000000001 110.939 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.56 143.41 41.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.519999999999996 110.905 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.526 HG22 ' HB ' ' A' ' 116' ' ' THR . 3.5 m -131.19 137.7 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.32 111.103 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.4 ' HA ' HG23 ' A' ' 117' ' ' THR . 8.8 m -120.18 113.48 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 73.530000000000001 111.169 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.11 104.6 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.040000000000006 110.859 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.73 7.0 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 73.409999999999997 110.846 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.34 84.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 53.43 111.105 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.837 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.6 86.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 41.240000000000002 110.863 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 136.16 45.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 73.030000000000001 110.919 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -159.85 -40.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.801 -0.714 . . . . 74.150000000000006 112.499 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.668 HD23 ' HA ' ' A' ' 120' ' ' PRO . 4.6 pp -94.7 159.97 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 71.099999999999994 110.911 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.55 ' HB ' HG22 ' A' ' 92' ' ' VAL . 44.4 p -48.28 106.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 111.154 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -53.26 -28.76 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 72.329999999999998 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.55 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.0 m -58.22 -22.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 72.299999999999997 111.115 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -49.65 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.859 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.518 ' HG2' HG21 ' A' ' 81' ' ' VAL . 10.2 tpt180 -66.16 -47.89 72.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 72.120000000000005 110.822 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -34.08 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 110.828 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -73.58 -33.44 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 61.450000000000003 110.927 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.71 -51.67 67.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.040000000000006 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.3 pt -83.01 -26.58 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.409999999999997 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.3 p90 38.5 46.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 74.099999999999994 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.49 -37.25 53.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 52.530000000000001 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 114' ' ' ALA . 1.3 mp -57.02 174.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 75.409999999999997 110.923 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 62.46 84.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 65.209999999999994 110.909 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.97 -75.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.430000000000007 110.875 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.15 -34.23 49.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.010000000000005 110.89 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -38.19 66.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 70.120000000000005 110.889 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -59.17 -32.35 69.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.209999999999994 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -74.1 -19.49 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.040000000000006 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.81 -46.09 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 71.329999999999998 111.094 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.15 -6.98 40.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 74.200000000000003 112.447 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.736 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.87 143.09 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 71.430000000000007 110.92 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 174.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 63.329999999999998 110.844 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -134.78 162.77 31.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.530000000000001 111.062 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 138.1 54.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.010000000000005 110.905 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -135.24 137.23 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 62.140000000000001 111.16 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.2 mtm -142.35 119.81 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 51.399999999999999 110.915 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 81' ' ' VAL . 1.7 p -115.92 125.17 52.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 72.430000000000007 111.145 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.7 t -120.33 109.84 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.099999999999994 111.141 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.616 ' HD3' HD21 ' A' ' 89' ' ' LEU . 11.0 tmtt? -139.83 140.51 36.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.863 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.837 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -64.06 137.44 97.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.581 0.705 . . . . 64.219999999999999 111.14 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.668 ' HA ' HD23 ' A' ' 89' ' ' LEU . 53.9 Cg_endo -69.76 177.55 5.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 75.430000000000007 112.356 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.79 14.19 22.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.109999999999999 111.115 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.78 119.13 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 61.229999999999997 110.916 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 71.540000000000006 110.97 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.72 0.295 . . . . 72.040000000000006 110.891 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.15 131.15 38.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.329999999999998 110.873 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.16 -66.04 1.6 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 71.010000000000005 112.471 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.64 45.61 10.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 75.219999999999999 110.864 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -79.19 179.4 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 63.450000000000003 110.861 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -140.11 134.59 31.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 65.420000000000002 110.857 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -103.91 171.54 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 72.040000000000006 110.844 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -173.37 177.27 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.409999999999997 110.843 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -116.22 134.6 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 74.209999999999994 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.17 169.63 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.87 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.52 175.43 22.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 73.540000000000006 112.441 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.76 127.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 50.409999999999997 110.875 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.58 111.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 55.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.8 m -133.44 131.48 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 61.140000000000001 111.147 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 pt -140.41 152.36 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.049999999999997 111.079 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 t -159.56 136.81 9.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 70.120000000000005 110.824 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.78 118.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 74.019999999999996 110.905 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.9 pt -151.5 164.01 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.409999999999997 111.144 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -177.67 125.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 64.430000000000007 111.124 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.38 140.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 71.540000000000006 110.864 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -176.68 143.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 73.439999999999998 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.96 105.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 53.340000000000003 112.485 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.82 142.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 60.520000000000003 110.841 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.02 101.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 61.229999999999997 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.4 110.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 61.020000000000003 111.149 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -158.6 -178.29 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 74.420000000000002 110.905 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 57.43 -179.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 71.400000000000006 110.875 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.04 126.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 75.140000000000001 110.929 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.87 178.88 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 74.030000000000001 110.932 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.48 66.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 61.32 112.506 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 178.64 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 65.209999999999994 112.331 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.732 HD11 ' HB2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -96.96 -66.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 74.019999999999996 111.154 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -178.34 -64.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 63.439999999999998 111.125 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -31.51 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.8 -0.714 . . . . 44.229999999999997 112.469 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 51' ' ' LEU . . . -63.64 -40.58 97.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 74.540000000000006 111.119 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -51.51 -31.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 70.25 111.136 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -62.18 -44.07 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 70.219999999999999 110.913 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -41.28 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.310000000000002 110.88 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -43.35 98.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.120000000000005 110.931 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 36' ' ' ILE . 59.0 t -56.43 -42.03 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.519999999999996 111.112 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.759 ' O ' HD22 ' A' ' 44' ' ' LEU . 14.4 tp10 -56.19 -27.56 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.049999999999997 110.883 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.53 -28.5 14.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 72.310000000000002 111.101 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -62.3 -23.21 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 74.019999999999996 111.1 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.759 HD22 ' O ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -60.91 -17.33 50.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 74.329999999999998 110.944 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.662 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -114.79 162.5 23.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 64.040000000000006 110.841 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 96.14 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 62.25 112.321 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.645 HG21 HH22 ' A' ' 94' ' ' ARG . 12.8 t -170.77 -171.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 70.209999999999994 111.133 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -128.12 146.44 50.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.109999999999999 110.852 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 12.0 p90 -136.55 119.75 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 61.149999999999999 110.889 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -115.12 114.85 25.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.219999999999999 110.894 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.794 HD12 HD23 ' A' ' 79' ' ' LEU . 1.7 tt -125.38 122.14 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 64.329999999999998 110.905 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.36 116.59 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 111.118 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.732 ' HB2' HD11 ' A' ' 32' ' ' ILE . 6.2 t-20 -107.15 123.5 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 62.210000000000001 110.873 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.43 28.04 8.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.888 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -47.14 161.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 52.329999999999998 110.84 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -158.94 138.17 11.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 51.350000000000001 110.891 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -63.33 172.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 73.450000000000003 110.923 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -105.4 136.1 45.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 73.209999999999994 110.87 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.7 -65.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.340000000000003 111.129 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.26 -37.99 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 65.439999999999998 112.491 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.8 t60 62.97 26.31 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 72.450000000000003 110.828 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 57.66 -173.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 72.530000000000001 110.88 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 60.66 171.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 75.310000000000002 111.117 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 72.29 -68.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.329999999999998 110.884 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 t70 65.04 23.33 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.838 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -175.23 69.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 62.43 112.471 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t -179.47 161.01 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.396 . . . . 72.450000000000003 110.872 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 t -126.77 -41.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 53.109999999999999 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.46 -169.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 52.049999999999997 111.065 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -170.28 -57.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.865 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.27 -169.73 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 54.310000000000002 110.831 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.83 106.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 72.329999999999998 111.137 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.12 -21.6 44.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 73.230000000000004 112.448 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -95.23 -56.56 2.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.391 . . . . 70.129999999999995 110.864 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p 51.3 -168.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 71.230000000000004 111.128 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -173.8 -29.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 54.350000000000001 110.831 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.592 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 25.5 t80 -107.93 137.71 45.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 60.399999999999999 110.84 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 52' ' ' ILE . 2.9 ptm180 -147.88 142.61 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 110.895 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.794 HD23 HD12 ' A' ' 51' ' ' LEU . 3.5 tm? -129.78 123.39 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 41.420000000000002 110.941 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -142.26 134.73 27.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 75.420000000000002 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.574 HG21 ' HE ' ' A' ' 94' ' ' ARG . 3.9 m -120.36 140.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 73.439999999999998 111.151 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.411 ' HA ' HG23 ' A' ' 117' ' ' THR . 55.9 m -119.82 114.46 22.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 63.310000000000002 111.114 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.39 104.9 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 60.549999999999997 110.86 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.08 7.37 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.400000000000006 110.847 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.0 79.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.430000000000007 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 178.8 89.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.439999999999998 110.881 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -70.78 132.49 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 71.400000000000006 110.92 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.03 -39.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 71.239999999999995 112.475 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 120' ' ' PRO . 1.5 mt -96.88 159.71 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.371 . . . . 64.209999999999994 110.911 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.494 ' HB ' HG22 ' A' ' 92' ' ' VAL . 34.1 p -48.15 108.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.140000000000001 111.144 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -54.08 -29.64 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 72.409999999999997 110.892 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.494 HG22 ' HB ' ' A' ' 90' ' ' THR . 18.2 m -59.63 -19.14 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 63.409999999999997 111.128 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -49.91 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.239999999999995 110.928 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.645 HH22 HG21 ' A' ' 47' ' ' THR . 19.2 mmm180 -66.79 -47.67 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 52.450000000000003 110.872 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.69 -34.97 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.120000000000005 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -73.79 -33.21 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 74.230000000000004 110.921 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.21 -52.01 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.883 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 99' ' ' TYR . 32.1 pt -83.76 -23.91 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 111.121 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ILE . 30.3 p90 37.16 50.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 60.329999999999998 110.945 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.95 -37.28 8.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 71.340000000000003 112.483 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.106 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.5 OUTLIER -55.17 160.29 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.348 . . . . 73.319999999999993 110.945 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.68 23.46 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 m -100.89 -82.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 74.209999999999994 110.887 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.608 ' OD2' HG21 ' A' ' 32' ' ' ILE . 10.8 t70 -79.89 -23.06 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 64.340000000000003 110.818 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' A' ' 112' ' ' ALA . 1.0 OUTLIER -55.89 -47.48 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 63.450000000000003 110.905 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -25.69 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 71.329999999999998 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -32.56 73.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 61.299999999999997 110.849 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.703 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -74.83 -43.45 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.439999999999998 111.092 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.83 3.18 30.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 54.450000000000003 112.498 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.725 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -121.88 142.93 49.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 65.409999999999997 110.907 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 179.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.66 ' HB2' ' HG3' ' A' ' 105' ' ' GLU . . . -150.33 162.57 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 62.509999999999998 111.093 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.86 151.29 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 64.439999999999998 110.968 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 1.106 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -143.78 139.02 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 51.43 111.07 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.519 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.7 mtp -143.0 118.97 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 53.539999999999999 110.819 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' VAL . 1.9 p -113.68 128.24 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 74.430000000000007 111.128 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.411 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.8 t -121.29 109.75 15.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 75.310000000000002 111.171 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -137.33 141.88 41.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 63.310000000000002 110.904 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.608 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -78.75 133.41 62.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 70.109999999999999 111.161 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.532 ' HA ' HD12 ' A' ' 89' ' ' LEU . 53.5 Cg_endo -69.78 147.93 63.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 71.340000000000003 112.37 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.01 -18.22 14.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 72.430000000000007 111.122 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -93.79 123.45 37.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 55.049999999999997 110.893 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.319999999999993 110.921 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.785 0.326 . . . . 53.310000000000002 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -88.46 112.68 23.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.109999999999999 110.906 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.13 127.52 5.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 71.519999999999996 112.533 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.29 133.54 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 65.209999999999994 110.883 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -176.68 126.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 72.230000000000004 110.832 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -179.03 174.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 110.847 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -179.16 126.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 63.340000000000003 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -174.1 153.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.439999999999998 110.897 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -174.61 152.11 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 71.540000000000006 110.915 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -179.16 160.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 70.420000000000002 110.899 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.92 157.81 7.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.745 . . . . 54.530000000000001 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.21 174.98 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 72.319999999999993 110.828 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -164.55 179.01 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 73.329999999999998 110.912 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -151.45 163.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.329999999999998 111.167 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.3 tp -175.34 145.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 72.209999999999994 111.162 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.5 p -122.6 -173.53 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 64.150000000000006 110.857 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.98 -170.29 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 72.340000000000003 110.832 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -134.05 -50.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 70.219999999999999 111.141 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.56 179.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.439999999999998 111.111 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.7 p -174.4 133.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 64.439999999999998 110.869 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -147.97 -176.35 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 73.239999999999995 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.66 148.74 4.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 52.509999999999998 112.454 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.38 -74.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 74.519999999999996 110.844 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.17 -176.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 55.229999999999997 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.45 -170.6 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 53.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -131.89 -177.17 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 62.409999999999997 110.869 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -169.92 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 73.540000000000006 110.844 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.48 86.56 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 62.140000000000001 110.913 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.29 151.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.109999999999999 110.932 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.5 76.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.747 . . . . 72.109999999999999 112.464 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 78.94 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 45.409999999999997 112.338 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -172.79 151.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 64.129999999999995 111.106 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB2' HD13 ' A' ' 32' ' ' ILE . . . 66.59 120.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 111.082 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.34 -40.18 97.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.759 . . . . 72.099999999999994 112.517 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.707 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.32 -27.27 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 71.040000000000006 111.074 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.71 -33.12 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 63.530000000000001 111.111 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 61.149999999999999 110.918 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 m -62.5 -47.88 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 75.150000000000006 110.894 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -66.76 -30.18 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 73.409999999999997 110.891 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.6 t -58.96 -38.46 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.530000000000001 111.142 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.05 -27.2 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 75.230000000000004 110.873 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.26 -19.57 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 61.200000000000003 111.061 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.48 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 72.349999999999994 111.084 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 mt -60.77 -18.28 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 71.540000000000006 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.17 160.7 42.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.658 0.742 . . . . 63.149999999999999 110.819 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 106.37 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.692 2.261 . . . . 72.510000000000005 112.367 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -174.21 -177.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 65.409999999999997 111.131 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -128.25 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.400000000000006 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.421 ' HB2' ' HD3' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 75.109999999999999 110.83 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' N ' ' HZ2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -132.52 124.59 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.86 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 35' ' ' ALA . 2.9 tt -126.39 118.4 24.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 70.140000000000001 110.883 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.522 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.9 pp -127.12 117.95 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 64.540000000000006 111.137 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.407 ' HB3' ' HB2' ' A' ' 77' ' ' PHE . 0.6 OUTLIER -111.31 123.16 49.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 63.520000000000003 110.838 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -52.74 10.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 53.350000000000001 110.89 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.26 -168.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 73.329999999999998 110.901 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.29 120.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.864 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -53.31 155.55 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.140000000000001 110.873 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -125.29 165.74 17.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.519999999999996 110.867 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -178.19 -176.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 71.430000000000007 111.119 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -128.69 -111.49 1.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 62.329999999999998 112.509 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 70.63 -69.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 61.25 110.854 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -154.75 88.73 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.409999999999997 110.857 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.25 110.87 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.540000000000006 111.116 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -172.84 92.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 73.319999999999993 110.914 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -154.48 26.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 75.319999999999993 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.0 77.9 0.13 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 62.520000000000003 112.523 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.0 t -98.62 86.2 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 75.230000000000004 110.84 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -77.43 -25.9 51.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 111.175 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 60.28 171.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 111.095 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 t -137.1 -74.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 51.229999999999997 110.841 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.32 -169.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 74.420000000000002 110.891 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.7 22.99 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 65.129999999999995 111.104 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.73 -28.41 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 63.049999999999997 112.531 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -81.48 -48.91 11.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.382 . . . . 75.319999999999993 110.901 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p 56.61 177.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.140000000000001 111.184 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.69 -38.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 110.852 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.542 ' HE2' HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -111.08 144.06 40.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.129999999999995 110.865 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.522 ' HD2' HD11 ' A' ' 52' ' ' ILE . 5.3 ptm180 -141.21 138.05 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.885 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.82 118.33 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 65.040000000000006 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.34 140.28 53.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 70.340000000000003 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -143.58 125.46 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 61.009999999999998 111.114 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.1 m -120.24 114.75 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 71.430000000000007 111.159 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.91 104.93 13.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 61.340000000000003 110.909 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.59 7.16 5.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 75.299999999999997 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.59 80.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 70.120000000000005 111.086 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.79 92.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 61.200000000000003 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 124.26 24.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.409999999999997 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.64 -64.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 75.340000000000003 112.474 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 118' ' ' LYS . 4.5 pp -76.35 159.14 30.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 65.549999999999997 110.9 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.594 ' HB ' HG22 ' A' ' 92' ' ' VAL . 31.2 p -50.5 110.6 0.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 111.157 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.474 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.4 pt? -55.77 -25.9 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 110.892 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.594 HG22 ' HB ' ' A' ' 90' ' ' THR . 33.9 m -56.73 -28.1 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.019999999999996 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -49.93 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 75.030000000000001 110.881 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.519 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -65.97 -46.65 77.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.450000000000003 110.89 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -62.53 -32.85 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 42.520000000000003 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.86 -32.54 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.349999999999994 110.915 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 94' ' ' ARG . 29.2 mt -62.04 -52.59 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 50.329999999999998 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.4 pt -82.34 -32.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 73.140000000000001 111.099 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.5 p90 39.49 41.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.893 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.63 -33.01 63.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.732 . . . . 63.340000000000003 112.485 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.542 HD12 ' HE2' ' A' ' 77' ' ' PHE . 21.6 tp -54.41 152.78 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 73.109999999999999 110.87 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' ' 101' ' ' LEU . 8.3 tp 67.57 91.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.049999999999997 110.907 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -172.08 -72.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 44.039999999999999 110.857 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.49 -40.76 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 73.120000000000005 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.02 -30.55 36.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 72.099999999999994 110.872 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.230000000000004 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -59.35 -22.33 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 110.898 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.451 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -99.8 -39.66 8.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.25 111.083 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.527 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 104.86 19.5 10.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.319999999999993 112.517 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.8 OUTLIER -117.51 140.67 49.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 74.540000000000006 110.919 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -170.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 71.319999999999993 110.894 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.445 ' HB3' HD11 ' A' ' 101' ' ' LEU . . . -162.07 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 52.219999999999999 111.146 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.403 HD11 ' HE ' ' A' ' 78' ' ' ARG . 1.1 pp -122.42 149.96 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 72.349999999999994 110.927 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -138.29 132.14 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 111.08 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.52 120.87 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.400000000000006 110.888 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.446 ' CB ' HG13 ' A' ' 81' ' ' VAL . 9.7 t -126.81 124.97 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.310000000000002 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -120.71 110.1 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 55.409999999999997 111.185 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.66 ' HD2' HD21 ' A' ' 89' ' ' LEU . 1.5 tmmm? -126.7 143.46 51.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.439999999999998 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.75 159.27 1.82 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 52.149999999999999 111.146 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 136.23 32.43 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.646 2.231 . . . . 74.549999999999997 112.356 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.76 -18.13 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.409999999999997 111.071 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -100.46 131.28 46.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 63.439999999999998 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 70.5 110.93 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.806 0.336 . . . . 72.549999999999997 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.28 146.34 41.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.61 -131.65 1.45 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 75.030000000000001 112.48 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m 60.37 92.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 65.239999999999995 110.863 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.79 172.7 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 70.200000000000003 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.2 163.18 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 62.240000000000002 110.822 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.29 -173.18 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 110.838 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -171.92 142.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 71.040000000000006 110.884 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -101.37 124.48 47.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 62.32 110.85 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -107.5 114.15 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.862 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.86 176.71 8.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 35.5 112.469 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -166.76 121.43 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 65.420000000000002 110.819 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -91.56 161.19 15.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 65.109999999999999 110.803 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -119.35 138.41 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.319999999999993 111.154 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 tp -115.84 141.13 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.510000000000005 111.183 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -98.11 -174.56 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.219999999999999 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.3 p -159.99 159.43 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 75.319999999999993 110.867 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.6 tp -127.18 133.03 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 61.43 111.11 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.71 166.41 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.099999999999994 111.102 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.14 174.5 10.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 41.409999999999997 110.879 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -151.78 166.81 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 75.530000000000001 110.901 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.3 78.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 70.430000000000007 112.514 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.39 101.82 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 62.200000000000003 110.901 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 157.16 15.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 63.210000000000001 110.904 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.96 124.05 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 42.539999999999999 111.032 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -122.49 -178.66 3.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 65.120000000000005 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -114.23 31.16 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 71.150000000000006 110.886 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -65.27 -30.67 71.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 62.009999999999998 110.915 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.67 164.6 12.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.219999999999999 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.69 -71.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 75.140000000000001 112.526 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.64 45.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.264 . . . . 70.319999999999993 112.372 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.61 HD11 ' CB ' ' A' ' 53' ' ' ASN . 0.6 OUTLIER -103.22 -66.83 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 71.549999999999997 111.094 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 36' ' ' ILE . . . -179.31 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 72.129999999999995 111.111 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.14 83.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 75.109999999999999 112.452 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 51' ' ' LEU . . . -64.39 -43.04 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 74.140000000000001 111.126 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -52.85 -27.24 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.349999999999994 111.147 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.4 mmpm? -62.94 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.903 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 m -66.68 -40.79 88.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 75.329999999999998 110.862 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HD3' ' HB3' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -61.6 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 63.43 110.878 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.1 t -57.25 -39.99 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.430000000000007 111.13 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -57.77 -26.21 61.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 110.88 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . . . -89.14 -21.7 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 42.420000000000002 111.13 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.35 -22.74 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.329999999999998 111.07 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.38 -20.85 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 54.340000000000003 110.931 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.59 160.68 33.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 31.52 110.864 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 64.209999999999994 112.349 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -175.88 -179.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.5 111.163 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -128.5 124.93 37.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.519999999999996 110.888 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -114.57 126.44 54.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 110.9 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -123.51 113.93 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 62.200000000000003 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.503 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 7.0 tt -126.24 125.89 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 62.409999999999997 110.895 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.617 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -125.09 111.29 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 73.420000000000002 111.141 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.61 ' CB ' HD11 ' A' ' 32' ' ' ILE . 17.3 t-20 -114.11 124.09 51.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.329999999999998 110.881 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -89.07 -15.51 33.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 60.140000000000001 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.46 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.310000000000002 110.887 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -175.07 86.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.839 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.94 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 72.340000000000003 110.911 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -150.28 162.16 41.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 72.140000000000001 110.86 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.38 109.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 64.140000000000001 111.1 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.85 55.41 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 64.420000000000002 112.496 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -107.45 -25.39 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 64.25 110.872 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.79 -170.06 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.549999999999997 110.949 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.73 -72.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 73.329999999999998 111.121 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.97 158.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 53.119999999999997 110.849 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -156.66 32.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 54.200000000000003 110.851 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.69 49.12 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 62.200000000000003 112.479 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 p -112.35 150.52 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 54.420000000000002 110.914 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.7 t -116.34 -21.37 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 111.122 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.95 164.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 62.409999999999997 111.092 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.75 -57.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.510000000000005 110.879 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 63.49 -172.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 73.310000000000002 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.26 15.86 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 71.439999999999998 111.088 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -142.82 15.75 2.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 50.420000000000002 112.505 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' C ' HG23 ' A' ' 75' ' ' THR . 14.1 tp10 -149.95 -51.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.962 0.411 . . . . 75.209999999999994 110.926 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.43 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 62.86 155.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.420000000000002 111.116 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -123.38 -30.83 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 110.874 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.422 ' HZ ' HD13 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -110.57 134.66 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 65.239999999999995 110.906 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.617 ' HD2' HD11 ' A' ' 52' ' ' ILE . 3.9 ptm180 -137.94 142.82 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.340000000000003 110.868 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.486 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -121.19 118.53 29.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.120000000000005 110.921 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.42 121.14 31.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.049999999999997 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -121.57 126.44 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.150000000000006 111.149 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -118.84 117.92 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 52.329999999999998 111.123 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.78 104.56 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 54.229999999999997 110.842 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 69.08 6.1 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 73.129999999999995 110.857 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.28 81.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 64.530000000000001 111.109 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.81 88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 61.409999999999997 110.888 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 137.67 39.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.439999999999998 110.934 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -160.21 -38.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 53.219999999999999 112.432 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.537 HD21 ' HD2' ' A' ' 118' ' ' LYS . 4.5 pp -91.41 160.24 15.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.929 0.395 . . . . 71.030000000000001 110.89 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.547 ' HB ' HG22 ' A' ' 92' ' ' VAL . 31.7 p -47.48 109.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 64.25 111.159 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.31 -26.08 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 53.119999999999997 110.907 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.547 HG22 ' HB ' ' A' ' 90' ' ' THR . 31.1 m -60.96 -25.31 35.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 111.132 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.652 ' HE2' HD11 ' A' ' 97' ' ' LEU . 12.4 tmtt? -67.96 -49.33 62.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.340000000000003 110.898 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.508 ' HB2' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -65.68 -46.97 77.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.299999999999997 110.872 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.404 ' CE1' ' HB1' ' A' ' 114' ' ' ALA . 12.5 m-70 -62.24 -33.44 74.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 64.329999999999998 110.902 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.31 -33.14 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.049999999999997 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.652 HD11 ' HE2' ' A' ' 93' ' ' LYS . 32.8 mt -61.24 -53.08 61.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 41.240000000000002 110.898 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.576 HG22 ' HG3' ' A' ' 41' ' ' GLU . 36.9 pt -82.84 -26.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.519999999999996 111.135 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ILE . 36.4 p90 38.43 42.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 74.430000000000007 110.908 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.5 -21.49 69.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 53.109999999999999 112.489 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 2.9 mm? -65.66 161.7 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 72.230000000000004 110.884 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 51.32 46.34 26.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 72.299999999999997 110.901 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.5 p -112.75 -80.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 110.877 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.568 ' OD2' HG21 ' A' ' 32' ' ' ILE . 17.6 t70 -79.66 -23.15 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 62.119999999999997 110.896 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -39.29 61.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.862 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.66 -44.52 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.549999999999997 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -59.44 -19.86 50.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.040000000000006 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.701 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -96.63 -54.48 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.130000000000003 111.151 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.697 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.0 18.24 10.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 52.219999999999999 112.464 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.701 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -120.43 140.77 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.348 . . . . 63.219999999999999 110.928 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.54 176.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.349999999999994 110.91 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.8 161.69 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.530000000000001 111.073 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.74 151.63 41.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 63.310000000000002 110.924 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -135.45 136.57 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 64.430000000000007 111.116 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.1 mtp -142.85 118.3 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.340000000000003 110.887 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 94' ' ' ARG . 5.8 t -127.55 121.84 31.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.0 111.159 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.65 109.57 15.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.299999999999997 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HD2' HD21 ' A' ' 89' ' ' LEU . 2.6 tmmm? -134.44 140.49 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 64.150000000000006 110.902 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.38 159.33 1.63 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 75.030000000000001 111.152 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 174.46 9.49 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 72.340000000000003 112.328 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.33 14.31 27.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.120000000000005 111.076 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -122.41 119.79 32.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 71.219999999999999 110.848 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.219999999999999 110.935 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.801 0.334 . . . . 73.099999999999994 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -121.61 125.63 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.854 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.51 134.56 3.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 74.010000000000005 112.495 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.0 p -162.49 131.9 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 74.519999999999996 110.867 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -168.72 136.95 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 72.129999999999995 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -153.32 141.8 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 73.030000000000001 110.86 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.1 119.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 63.409999999999997 110.885 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.71 152.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.409999999999997 110.858 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -158.34 147.0 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 74.510000000000005 110.853 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -166.51 179.52 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 74.319999999999993 110.837 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.21 161.91 20.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 72.25 112.46 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.92 173.79 9.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 64.439999999999998 110.871 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.89 -178.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.319999999999993 110.91 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.6 t 62.51 103.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.150000000000006 111.107 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 tt -168.85 147.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 54.32 111.154 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.3 m -163.34 170.94 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 61.200000000000003 110.887 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.579 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -179.3 119.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 64.540000000000006 110.852 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 17' ' ' SER . 35.4 mm -137.7 137.41 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 72.109999999999999 111.127 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -178.16 152.11 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.319999999999993 111.141 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -174.25 140.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 63.350000000000001 110.845 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -144.7 -176.37 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 60.43 110.866 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.38 172.76 43.03 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.756 -0.735 . . . . 72.140000000000001 112.487 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.15 172.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 72.530000000000001 110.834 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.93 164.58 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 62.409999999999997 110.866 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -177.8 157.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.329999999999998 111.076 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -169.03 172.15 7.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 73.030000000000001 110.87 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -174.12 169.68 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 72.409999999999997 110.923 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -88.16 -175.02 4.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 73.340000000000003 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.61 -176.8 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 71.25 110.918 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.63 72.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 64.299999999999997 112.499 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 158.41 57.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.27 . . . . 52.219999999999999 112.33 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.754 ' N ' HD13 ' A' ' 36' ' ' ILE . 57.2 mt -140.75 -57.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 54.109999999999999 111.145 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.681 ' HB2' ' CG ' ' A' ' 53' ' ' ASN . . . -142.71 -174.74 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 71.219999999999999 111.072 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -38.64 95.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 64.109999999999999 112.465 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.681 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -60.62 -25.08 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 75.219999999999999 111.102 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.754 HD13 ' N ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -50.73 -30.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.200000000000003 111.116 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -41.14 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 63.439999999999998 110.897 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -65.05 -45.36 85.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 50.130000000000003 110.878 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -62.96 -33.16 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 73.519999999999996 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 36' ' ' ILE . 54.5 t -62.41 -40.08 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 54.149999999999999 111.125 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.16 -37.36 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 75.239999999999995 110.821 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.45 -19.46 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 63.43 111.088 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 71.519999999999996 111.094 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.11 -20.31 57.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 62.310000000000002 110.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.589 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -96.84 166.83 13.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 74.409999999999997 110.867 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.79 -7.66 21.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.647 2.231 . . . . 63.409999999999997 112.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.589 HG22 ' HB2' ' A' ' 45' ' ' SER . 8.7 t -71.37 176.14 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 71.230000000000004 111.145 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -128.62 124.69 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 71.129999999999995 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.68 ' HE2' HD13 ' A' ' 98' ' ' ILE . 5.9 m-85 -115.46 118.09 32.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 64.510000000000005 110.879 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' O ' HD22 ' A' ' 79' ' ' LEU . 9.5 tttt -105.3 117.8 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 72.150000000000006 110.885 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.681 HD11 ' CB ' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -124.45 121.52 35.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 73.409999999999997 110.899 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.432 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.2 pp -126.35 114.72 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 63.409999999999997 111.157 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.707 ' OD1' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -112.34 124.39 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 70.439999999999998 110.916 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.8 -78.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 74.430000000000007 110.856 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 108' ' ' ALA . 2.2 t 66.74 -178.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.530000000000001 110.853 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -108.97 150.4 27.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 74.430000000000007 110.879 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -114.9 -169.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.439999999999998 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -99.68 127.05 45.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 61.240000000000002 110.85 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.11 171.46 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 41.25 111.085 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -143.14 78.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 74.129999999999995 112.506 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -141.6 12.84 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 61.219999999999999 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 65.06 13.95 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.510000000000005 110.964 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 50.97 -169.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 63.32 111.08 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -86.37 -74.45 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 72.349999999999994 110.836 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -179.1 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 54.399999999999999 110.863 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.78 110.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.723 . . . . 64.5 112.521 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.1 p -108.29 109.08 20.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 63.329999999999998 110.865 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.7 m -51.67 -49.93 61.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 73.409999999999997 111.181 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.8 -169.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 73.430000000000007 111.093 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -177.26 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.120000000000005 110.912 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 61.84 49.09 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 74.510000000000005 110.849 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.23 -25.2 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -155.38 46.63 0.52 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 71.239999999999995 112.479 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -115.94 -43.44 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 65.310000000000002 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p 51.07 -168.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 63.020000000000003 111.096 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -33.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 63.009999999999998 110.867 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.449 ' HZ ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -108.59 133.9 52.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.319999999999993 110.868 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.432 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -148.79 119.72 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 64.010000000000005 110.869 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.67 HD23 ' HB2' ' A' ' 51' ' ' LEU . 3.1 tm? -120.16 117.55 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 73.010000000000005 110.893 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 129.27 51.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 74.430000000000007 110.862 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG13 HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER -115.84 127.26 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 63.219999999999999 111.146 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -121.2 118.03 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 53.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.29 104.41 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 53.409999999999997 110.857 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.602 ' HB2' HG23 ' A' ' 119' ' ' THR . 5.4 m-20 67.64 7.27 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.83 84.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 111.107 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' HB3' HG22 ' A' ' 119' ' ' THR . 0.2 OUTLIER -179.98 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.219999999999999 110.85 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -74.09 140.59 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 75.200000000000003 110.937 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.07 -33.89 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 75.409999999999997 112.477 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -97.75 160.71 14.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 63.539999999999999 110.941 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.451 ' OG1' HG22 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -41.66 108.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.409999999999997 111.138 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.417 HD23 ' H ' ' A' ' 91' ' ' LEU . 2.5 pt? -72.4 -33.73 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.450000000000003 110.889 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.451 HG22 ' OG1' ' A' ' 90' ' ' THR . 35.2 m -56.91 -23.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 72.450000000000003 111.166 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.69 ' HE2' HD11 ' A' ' 97' ' ' LEU . 8.3 tttt -67.44 -49.17 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.937 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 73.120000000000005 110.919 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.74 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 64.329999999999998 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -67.98 -39.32 83.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 61.32 110.922 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.69 HD11 ' HE2' ' A' ' 93' ' ' LYS . 34.9 mt -51.81 -52.23 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.140000000000001 110.889 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.68 HD13 ' HE2' ' A' ' 49' ' ' PHE . 24.9 pt -79.88 -33.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 111.137 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.5 t80 44.0 56.56 4.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.95 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.74 -37.49 3.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 63.140000000000001 112.48 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.773 HD22 ' HB2' ' A' ' 114' ' ' ALA . 1.9 tp -51.2 160.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.366 . . . . 73.140000000000001 110.921 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.4 HD22 ' OE1' ' A' ' 105' ' ' GLU . 0.5 OUTLIER 64.58 86.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 64.209999999999994 110.939 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.07 -74.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 71.120000000000005 110.869 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.76 -22.76 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 74.030000000000001 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.4 ' OE1' HD22 ' A' ' 102' ' ' LEU . 5.3 mt-10 -52.94 -28.34 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 71.439999999999998 110.88 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -33.76 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 75.150000000000006 110.924 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -81.01 -34.65 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 74.439999999999998 110.913 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.677 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -82.08 -53.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.140000000000001 111.088 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.697 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.18 17.25 11.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.751 . . . . 71.439999999999998 112.487 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.697 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.2 OUTLIER -120.56 139.54 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 75.439999999999998 110.939 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -174.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.109999999999999 110.837 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.52 157.4 42.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.439999999999998 111.048 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.64 146.75 47.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.049999999999997 110.904 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.773 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -133.32 137.85 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.209999999999994 111.14 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 7.9 mtm -142.34 119.08 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 81' ' ' VAL . 1.3 p -123.34 118.95 28.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 62.240000000000002 111.126 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.5 108.8 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 51.350000000000001 111.152 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.41 ' HB3' HD11 ' A' ' 89' ' ' LEU . 4.1 tttt -132.21 141.76 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.019999999999996 110.906 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.602 HG23 ' HB2' ' A' ' 84' ' ' ASP . 31.4 p -52.37 154.49 4.3 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.548 0.689 . . . . 75.430000000000007 111.142 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 174.41 9.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.62 2.213 . . . . 41.509999999999998 112.384 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.44 -18.29 32.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 62.130000000000003 111.08 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.69 100.48 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 72.200000000000003 110.857 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 74.129999999999995 110.91 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 mtt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.736 0.303 . . . . 72.340000000000003 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.64 130.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 64.439999999999998 110.881 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.66 161.7 26.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 71.140000000000001 112.446 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.1 p -165.63 -179.31 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.962 0.411 . . . . 60.039999999999999 110.832 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -163.82 162.1 23.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 70.430000000000007 110.855 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -177.05 162.23 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 63.509999999999998 110.881 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -168.04 140.24 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 65.209999999999994 110.899 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -131.16 -179.44 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.831 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -161.27 126.93 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 64.540000000000006 110.893 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -174.24 148.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 70.340000000000003 110.862 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.62 141.51 3.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 62.200000000000003 112.496 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.02 138.33 37.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 62.539999999999999 110.832 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -139.86 100.66 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.310000000000002 110.835 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.5 m -94.65 -177.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 61.43 111.148 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 pt -152.07 166.94 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 52.539999999999999 111.131 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.66 178.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 61.229999999999997 110.899 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.69 145.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 73.420000000000002 110.871 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.7 tt -171.14 147.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 73.420000000000002 111.135 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.24 173.8 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 111.101 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.6 p -169.2 163.32 10.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 75.310000000000002 110.874 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.4 mtm-85 -149.09 172.41 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 73.150000000000006 110.873 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.7 135.32 3.23 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.735 . . . . 64.540000000000006 112.493 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.11 151.71 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 74.450000000000003 110.865 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -172.54 134.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.519999999999996 110.878 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -163.44 145.9 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 61.030000000000001 111.107 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -168.79 130.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.530000000000001 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -149.64 137.45 20.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 70.549999999999997 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.15 106.69 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.299999999999997 110.914 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.72 136.98 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.120000000000005 110.909 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.95 70.72 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 61.439999999999998 112.497 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.99 13.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.738 2.292 . . . . 62.140000000000001 112.308 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.646 ' H ' HD13 ' A' ' 36' ' ' ILE . 14.6 tt -116.18 -22.92 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 65.409999999999997 111.076 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -145.33 153.32 41.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 54.549999999999997 111.086 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.93 51.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 60.32 112.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.791 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.05 -26.53 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 73.019999999999996 111.095 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.69 -30.26 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.200000000000003 111.16 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -40.47 96.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 72.230000000000004 110.92 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 m -65.09 -45.15 86.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.846 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -63.92 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 53.140000000000001 110.862 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.0 t -62.19 -41.75 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.100000000000001 111.164 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -26.7 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.450000000000003 110.87 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -89.62 -20.88 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.510000000000005 111.138 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.25 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 74.5 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.16 -39.5 86.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.039999999999999 110.948 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.15 164.55 51.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 63.399999999999999 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 77.13 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.745 2.297 . . . . 72.129999999999995 112.372 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -163.65 173.59 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.439999999999998 111.155 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -128.93 125.03 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 73.019999999999996 110.834 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.668 ' HE2' HD13 ' A' ' 98' ' ' ILE . 6.2 m-85 -116.41 119.53 35.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.010000000000005 110.885 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.18 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 64.040000000000006 110.932 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tt -126.48 121.67 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 52.140000000000001 110.931 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.57 115.88 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.099999999999994 111.126 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.99 128.32 55.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.75 -52.93 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.239999999999995 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.6 160.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 110.86 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -124.85 91.7 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 60.240000000000002 110.907 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -67.53 -170.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.120000000000005 110.924 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -109.04 142.22 40.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 71.140000000000001 110.865 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.99 -170.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 41.5 111.114 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.13 40.58 2.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 71.120000000000005 112.496 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 62.56 38.14 12.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 63.039999999999999 110.853 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.24 157.85 23.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.319999999999993 110.933 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.18 175.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 62.210000000000001 111.087 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -175.11 86.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 61.109999999999999 110.874 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.96 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 63.149999999999999 110.866 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -155.7 121.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 70.400000000000006 112.497 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.4 p -115.31 -177.45 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.029 0.442 . . . . 65.219999999999999 110.798 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -125.9 40.22 3.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.486 . . . . 72.420000000000002 111.136 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.77 94.81 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 44.299999999999997 111.092 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 t -179.62 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 73.530000000000001 110.824 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.57 -169.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.859 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.38 104.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 111.107 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.24 -26.33 24.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.768 . . . . 62.310000000000002 112.451 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -86.74 -53.31 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.934 0.397 . . . . 63.25 110.869 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.731 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.1 p 60.29 177.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 51.539999999999999 111.101 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.51 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.209999999999994 110.818 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' ILE . 44.8 t80 -108.54 136.35 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 75.519999999999996 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.633 ' HD2' HD11 ' A' ' 52' ' ' ILE . 4.0 ptm180 -147.75 138.98 23.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 52.32 110.846 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -121.74 116.16 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 72.430000000000007 110.903 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -122.83 149.93 43.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 74.430000000000007 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER -144.05 126.44 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 72.219999999999999 111.121 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -119.8 118.11 29.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 53.219999999999999 111.181 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.83 108.27 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.519999999999996 110.866 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.42 6.32 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 65.099999999999994 110.865 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.56 76.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 64.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 179.72 90.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 73.319999999999993 110.917 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.25 139.89 56.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.02 -73.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 51.420000000000002 112.498 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.515 HD21 ' HD3' ' A' ' 118' ' ' LYS . 4.5 pp -75.77 159.18 31.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 74.239999999999995 110.915 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.8 t -48.21 128.95 14.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 43.049999999999997 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.2 pt? -71.87 -25.51 61.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 71.519999999999996 110.92 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.693 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.8 m -57.09 -28.79 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 111.143 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.66 ' CE ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -68.9 -50.09 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 45.32 110.852 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.415 ' HG2' HG21 ' A' ' 81' ' ' VAL . 3.1 tpt180 -62.51 -47.21 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.329999999999998 110.821 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -39.89 89.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 71.200000000000003 110.822 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.66 -41.39 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.030000000000001 110.923 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.66 HD11 ' CE ' ' A' ' 93' ' ' LYS . 33.9 mt -51.3 -51.41 54.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 72.510000000000005 110.938 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.668 HD13 ' HE2' ' A' ' 49' ' ' PHE . 20.4 pt -79.38 -35.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 111.098 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 t80 43.83 54.13 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.409999999999997 110.947 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.87 -15.33 29.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 73.040000000000006 112.464 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.064 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -76.79 59.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 73.010000000000005 110.9 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.74 92.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.030000000000001 110.885 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.83 -76.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 55.329999999999998 110.871 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -77.8 -40.18 41.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 74.150000000000006 110.85 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.69 -43.61 90.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 65.530000000000001 110.861 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -60.04 -35.01 74.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 64.120000000000005 110.877 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.41 -24.46 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.200000000000003 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.868 ' HB3' HD12 ' A' ' 110' ' ' LEU . . . -104.44 -26.56 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 55.039999999999999 111.051 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.47 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 55.310000000000002 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.868 HD12 ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -76.34 147.02 38.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 53.119999999999997 110.947 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.07 131.17 41.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 65.439999999999998 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.64 163.13 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 62.100000000000001 111.09 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.63 151.13 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 64.329999999999998 110.971 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 1.064 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -138.4 133.42 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.230000000000004 111.088 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.06 120.1 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 63.119999999999997 110.864 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.451 HG22 ' CG1' ' A' ' 81' ' ' VAL . 1.2 p -123.71 123.4 40.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.219999999999999 111.098 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -121.2 109.89 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 111.101 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.515 ' HD3' HD21 ' A' ' 89' ' ' LEU . 10.5 tmtt? -133.71 140.85 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 75.099999999999994 110.94 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.57 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -57.14 158.97 8.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 61.299999999999997 111.15 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.535 ' HD2' HG22 ' A' ' 119' ' ' THR . 54.0 Cg_endo -69.77 143.61 51.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 73.310000000000002 112.373 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.95 -18.09 15.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 62.140000000000001 111.096 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -132.69 121.43 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 72.040000000000006 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 71.120000000000005 110.928 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.709 0.29 . . . . 75.450000000000003 110.801 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -72.31 144.8 48.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 72.430000000000007 110.882 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.95 173.21 13.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 64.329999999999998 112.474 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.38 -60.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 63.140000000000001 110.849 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 59.01 74.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.510000000000005 110.812 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -115.01 149.31 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 62.130000000000003 110.857 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -161.25 151.21 17.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.540000000000006 110.861 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -145.9 160.46 41.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 62.210000000000001 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 170.44 16.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 73.140000000000001 110.833 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -152.11 176.27 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.896 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.15 -155.53 8.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 51.520000000000003 112.436 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.36 173.44 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 73.230000000000004 110.835 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.81 147.74 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 73.299999999999997 110.873 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.8 p -119.1 143.0 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.230000000000004 111.142 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -115.49 130.34 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 45.310000000000002 111.162 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.37 -62.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 110.893 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.4 p -129.39 123.15 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 72.120000000000005 110.844 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.0 pt -104.99 32.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.310000000000002 111.176 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.19 139.62 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 22.140000000000001 111.108 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -170.98 -73.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 70.519999999999996 110.892 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -169.66 -53.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 74.409999999999997 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.88 117.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 70.129999999999995 112.509 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.79 175.16 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 63.299999999999997 110.846 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -119.83 175.24 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 73.349999999999994 110.873 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.22 168.18 15.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 63.219999999999999 111.11 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -120.95 143.79 48.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.409999999999997 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -136.02 106.03 6.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 75.450000000000003 110.901 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.87 111.96 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 62.119999999999997 110.92 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -171.54 121.41 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.310000000000002 110.942 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.75 71.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 54.350000000000001 112.5 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 130.97 20.2 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.672 2.248 . . . . 63.439999999999998 112.33 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.546 ' H ' HD13 ' A' ' 36' ' ' ILE . 10.2 pt -129.59 -38.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.299999999999997 111.093 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 53' ' ' ASN . . . -118.66 154.31 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.319999999999993 111.083 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.51 52.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 74.200000000000003 112.537 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.633 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . -60.86 -27.71 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 62.450000000000003 111.127 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.546 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -52.31 -33.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.340000000000003 111.179 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 61.420000000000002 110.898 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -64.37 -39.77 94.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 71.329999999999998 110.892 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.66 ' CE ' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -64.53 -43.13 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.129999999999995 110.876 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 36' ' ' ILE . 44.6 t -53.65 -38.58 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 75.329999999999998 111.153 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.26 -35.89 70.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 73.219999999999999 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.5 -16.87 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 63.229999999999997 111.134 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -56.32 -24.04 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 62.350000000000001 111.137 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -18.58 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.349999999999994 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.42 164.63 19.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 73.109999999999999 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -6.97 19.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 64.420000000000002 112.354 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -66.89 -177.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.010000000000005 111.149 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -128.69 140.8 51.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 74.530000000000001 110.839 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 55.6 p90 -126.86 130.33 49.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.519999999999996 110.869 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -127.02 113.94 17.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 74.430000000000007 110.905 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 35' ' ' ALA . 2.6 tp -126.97 126.6 43.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 71.030000000000001 110.919 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.1 pt -126.47 113.59 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.340000000000003 111.138 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -111.65 125.63 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 60.039999999999999 110.884 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.37 -37.09 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 70.230000000000004 110.835 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.1 -168.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.010000000000005 110.834 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -146.07 98.4 3.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 63.340000000000003 110.864 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -79.87 -71.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.230000000000004 110.922 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -137.1 164.76 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 70.329999999999998 110.85 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.93 -42.82 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 32.210000000000001 111.143 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.34 -129.26 5.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 54.100000000000001 112.494 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -118.51 65.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 74.209999999999994 110.85 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -136.86 92.09 2.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.92 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.73 107.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.420000000000002 111.103 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -89.13 -55.11 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 74.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t0 63.7 25.35 14.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.430000000000007 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.86 78.48 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 62.100000000000001 112.455 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -109.48 132.55 54.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.423 . . . . 71.049999999999997 110.85 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -111.72 -23.22 10.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 70.319999999999993 111.133 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.9 -177.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 23.039999999999999 111.083 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -160.7 -56.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.219999999999999 110.895 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.27 -169.7 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 73.540000000000006 110.916 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.71 73.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.230000000000004 111.113 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.84 -29.11 0.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 53.409999999999997 112.472 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' C ' HG23 ' A' ' 75' ' ' THR . 17.9 tt0 -96.62 -52.9 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 74.409999999999997 110.864 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.457 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.62 132.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 111.162 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 45.2 m170 -117.4 -15.15 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 72.030000000000001 110.862 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.86 135.42 53.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 71.310000000000002 110.893 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.573 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -148.73 133.77 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 74.549999999999997 110.869 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.773 HD22 ' CE1' ' A' ' 95' ' ' HIS . 1.4 tt -123.84 125.97 45.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.310000000000002 110.904 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.551 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.5 tp10 -141.08 124.23 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 62.210000000000001 110.914 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.99 134.88 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 71.329999999999998 111.108 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.409 ' HA ' HG23 ' A' ' 117' ' ' THR . 94.5 m -120.03 113.64 20.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 71.25 111.15 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.14 105.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 61.140000000000001 110.837 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.36 6.0 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 71.120000000000005 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.59 79.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.129999999999995 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.51 83.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 75.030000000000001 110.857 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 126.89 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 63.140000000000001 110.948 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.98 -70.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 44.030000000000001 112.49 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 90' ' ' THR . 4.5 pp -76.39 161.24 28.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 74.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.741 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.7 t -41.5 126.21 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 75.400000000000006 111.105 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 ' H ' ' A' ' 116' ' ' THR . 2.3 pt? -72.2 -32.45 66.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 62.210000000000001 110.919 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.741 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.7 m -57.98 -21.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.329999999999998 111.128 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.463 ' CB ' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -67.2 -49.8 63.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 110.858 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.527 ' HA ' HD12 ' A' ' 97' ' ' LEU . 12.4 mmm180 -61.56 -48.1 82.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.865 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.773 ' CE1' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -67.17 -25.32 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 64.010000000000005 110.827 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -75.43 -33.16 60.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.886 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 94' ' ' ARG . 10.7 mt -69.63 -50.3 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.430000000000007 110.853 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.66 HD12 ' CE ' ' A' ' 39' ' ' LYS . 10.4 pt -83.63 -21.74 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 72.209999999999994 111.142 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.3 p90 38.25 58.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 71.219999999999999 110.943 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.75 -37.22 4.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 55.140000000000001 112.498 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.014 HD22 ' HB2' ' A' ' 114' ' ' ALA . 12.2 tp -50.68 145.9 6.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 73.200000000000003 110.93 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.6 ' H ' HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER 67.14 129.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 53.43 110.953 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.66 -86.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 62.530000000000001 110.851 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -80.6 -20.44 43.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 73.329999999999998 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.67 -30.3 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.519999999999996 110.89 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -40.82 74.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 75.329999999999998 110.869 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -62.2 -22.66 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 72.129999999999995 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.519 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -95.12 -43.56 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 70.420000000000002 111.118 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.6 19.36 11.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 53.310000000000002 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.519 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 1.3 mm? -113.06 138.23 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 74.239999999999995 110.903 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.37 -167.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.862 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.83 162.0 29.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 54.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.422 HD12 ' SD ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -121.44 136.99 54.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 71.530000000000001 110.9 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 1.014 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -120.79 129.81 53.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.420000000000002 111.042 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.422 ' SD ' HD12 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -143.24 119.71 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.846 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.475 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -126.36 122.47 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 65.329999999999998 111.121 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.2 t -121.37 109.39 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 111.164 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.72 143.06 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 61.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.451 HG23 ' HB2' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -54.67 159.48 3.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 44.329999999999998 111.169 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -172.11 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 71.120000000000005 112.362 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -98.34 14.2 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 54.409999999999997 111.141 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 134.4 49.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 75.239999999999995 110.875 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 73.420000000000002 110.874 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 55.329999999999998 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.35 171.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.540000000000006 110.906 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.04 155.07 26.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 71.519999999999996 112.501 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.36 164.82 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 74.010000000000005 110.822 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -173.42 -177.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 74.430000000000007 110.886 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.22 98.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 64.420000000000002 110.856 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -153.62 130.93 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 73.439999999999998 110.882 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -168.89 138.55 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.400000000000006 110.838 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -172.87 133.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 75.430000000000007 110.873 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.3 164.71 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 52.520000000000003 110.828 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.05 161.75 25.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 51.140000000000001 112.443 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -168.87 128.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 51.43 110.845 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.544 ' O ' HG22 ' A' ' 14' ' ' VAL . 2.8 t60 -126.26 -51.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 73.129999999999995 110.843 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 13' ' ' HIS . 12.1 m 43.57 -164.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 42.530000000000001 111.108 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.0 tt -173.71 140.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 65.439999999999998 111.109 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.76 122.02 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.129999999999995 110.871 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.8 p -167.08 87.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.329999999999998 110.824 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.3 mm -88.39 138.01 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.530000000000001 111.101 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -170.42 154.26 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.43 111.083 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 m -141.99 -66.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.83 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.26 178.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 73.519999999999996 110.871 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.68 105.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 45.119999999999997 112.507 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.11 167.9 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 63.420000000000002 110.88 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.07 163.03 9.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 72.409999999999997 110.849 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.45 -179.82 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.219999999999999 111.063 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -113.01 -178.71 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 54.420000000000002 110.887 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -114.14 -26.01 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 61.310000000000002 110.889 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -51.98 138.29 25.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 52.409999999999997 110.904 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 tp -148.52 -177.41 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 73.120000000000005 110.931 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.47 72.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 51.130000000000003 112.489 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.14 10.78 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.233 . . . . 75.040000000000006 112.363 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mm -88.87 -68.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 74.030000000000001 111.099 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -178.88 -86.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 72.25 111.072 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.16 -38.06 87.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 74.230000000000004 112.499 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.99 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 72.209999999999994 111.127 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -51.34 -29.48 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 64.150000000000006 111.149 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.019999999999996 110.926 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 m -66.34 -45.16 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 63.229999999999997 110.892 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -32.58 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.319999999999993 110.906 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 36' ' ' ILE . 30.6 t -62.06 -41.8 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.230000000000004 111.121 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -56.96 -35.75 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.310000000000002 110.866 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . . . -77.81 -22.33 50.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 73.040000000000006 111.065 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.25 -24.33 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 64.409999999999997 111.072 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.29 -20.08 57.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 72.129999999999995 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.3 161.73 28.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.718 0.771 . . . . 61.130000000000003 110.824 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 102.97 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 62.140000000000001 112.34 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -175.63 -176.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 71.239999999999995 111.154 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -128.34 144.8 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 62.509999999999998 110.928 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -132.04 126.94 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.099999999999994 110.898 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.15 114.43 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 71.140000000000001 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.882 HD12 ' HG ' ' A' ' 79' ' ' LEU . 6.4 tt -126.46 129.37 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 74.120000000000005 110.929 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.484 HD11 ' HG2' ' A' ' 78' ' ' ARG . 1.1 pp -127.32 116.07 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 70.129999999999995 111.131 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -111.75 105.24 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 75.230000000000004 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -29.94 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 72.109999999999999 110.838 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.27 -172.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 73.319999999999993 110.858 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -135.42 169.75 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 53.25 110.882 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -149.37 -71.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 74.109999999999999 110.903 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.64 126.43 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 61.229999999999997 110.885 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.07 -169.66 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 111.103 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.01 19.91 41.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 61.140000000000001 112.524 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 55.86 25.87 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.804 0.335 . . . . 72.109999999999999 110.87 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 52.44 -170.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.5 110.939 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.28 175.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 62.420000000000002 111.118 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -158.39 146.24 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 55.030000000000001 110.883 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -169.43 83.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 71.439999999999998 110.873 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -21.05 48.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 33.210000000000001 112.507 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -170.86 155.66 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 70.299999999999997 110.839 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.3 t -119.16 -31.69 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 54.140000000000001 111.123 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.42 -169.97 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 63.119999999999997 111.112 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.2 t -148.69 -60.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 63.43 110.845 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 62.73 -170.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 53.439999999999998 110.9 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.48 83.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.430000000000007 111.063 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.72 -22.94 2.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 74.400000000000006 112.543 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.474 ' C ' HG23 ' A' ' 75' ' ' THR . 2.0 tp10 -97.85 -53.77 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.983 0.421 . . . . 73.420000000000002 110.886 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.636 HG21 HD23 ' A' ' 113' ' ' LEU . 1.0 OUTLIER 64.09 140.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.230000000000004 111.115 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -121.54 -21.38 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.430000000000007 110.839 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 51' ' ' LEU . 10.7 t80 -112.3 133.83 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.340000000000003 110.876 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG2' HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -148.7 145.79 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 73.219999999999999 110.84 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.882 ' HG ' HD12 ' A' ' 51' ' ' LEU . 1.1 tt -123.37 126.13 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 55.210000000000001 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -135.91 118.72 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.420000000000002 110.913 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 m -116.74 135.14 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -119.22 113.6 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.010000000000005 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.06 103.67 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.530000000000001 110.849 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.542 ' HB2' HG23 ' A' ' 119' ' ' THR . 2.2 m-20 72.07 0.06 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.150000000000006 110.883 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.57 84.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.439999999999998 111.158 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -178.75 57.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 70.349999999999994 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 142.02 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.109999999999999 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.6 -93.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 32.210000000000001 112.498 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.84 160.76 20.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 62.109999999999999 110.903 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 p 59.3 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 111.136 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -72.6 -34.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 71.200000000000003 110.98 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 m -60.29 -22.08 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 61.020000000000003 111.159 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -63.8 -42.0 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 62.240000000000002 110.931 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -68.67 -48.49 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -64.69 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.120000000000005 110.847 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.92 -39.3 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 74.430000000000007 110.904 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.99 -49.59 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 74.219999999999999 110.933 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.72 ' CG2' ' HB2' ' A' ' 42' ' ' ALA . 33.9 pt -81.39 -23.75 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.040000000000006 111.151 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.2 p90 38.94 40.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 75.030000000000001 110.918 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.75 -37.16 57.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.530000000000001 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 114' ' ' ALA . 57.3 tp -62.22 154.82 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 52.009999999999998 110.966 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.76 54.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 64.530000000000001 110.903 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.0 p -139.28 -79.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 63.229999999999997 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.1 -23.17 44.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 72.439999999999998 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.457 ' HG3' ' HB2' ' A' ' 112' ' ' ALA . 1.3 tm-20 -53.15 -40.64 64.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.918 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.29 35.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 65.010000000000005 110.86 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.22 -30.06 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 51.229999999999997 110.919 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.59 -46.4 47.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 55.020000000000003 111.08 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.3 -6.32 39.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 62.219999999999999 112.484 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.744 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.2 145.28 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 73.120000000000005 110.89 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.62 163.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.430000000000007 110.813 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -131.37 161.54 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 61.399999999999999 111.107 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.636 HD23 HG21 ' A' ' 75' ' ' THR . 0.5 OUTLIER -128.71 129.12 45.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.0 110.923 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.624 ' HB3' HD22 ' A' ' 101' ' ' LEU . . . -130.92 121.64 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 52.100000000000001 111.025 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 11.9 ptp -119.62 119.78 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.853 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -106.44 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 111.18 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.86 109.57 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 62.420000000000002 111.154 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.24 149.22 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 70.019999999999996 110.877 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -49.93 159.64 0.74 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.567 0.698 . . . . 74.549999999999997 111.179 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 135.97 31.93 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 70.019999999999996 112.334 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.56 -18.19 39.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.230000000000004 111.123 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.12 134.84 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.530000000000001 110.907 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.010000000000005 110.918 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.763 0.316 . . . . 74.549999999999997 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -109.49 142.59 40.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 62.340000000000003 110.872 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 138.64 145.79 4.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 64.200000000000003 112.52 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.92 123.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 73.540000000000006 110.843 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -149.43 145.03 26.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 63.32 110.878 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -162.21 137.21 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 110.901 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -148.62 158.83 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 75.329999999999998 110.848 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -176.48 158.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 62.32 110.808 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -171.53 159.65 5.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 54.43 110.864 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.71 175.86 1.03 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 110.895 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.52 133.07 1.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 51.350000000000001 112.509 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.24 167.49 23.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 60.009999999999998 110.828 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -139.68 114.15 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 70.030000000000001 110.862 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -109.6 137.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.109999999999999 111.125 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.468 HD13 ' N ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -165.69 145.6 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 62.530000000000001 111.104 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.468 ' N ' HD13 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -160.8 159.01 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.439999999999998 110.873 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 t -99.94 -176.85 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 74.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.6 tp -157.45 135.83 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 75.430000000000007 111.096 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.21 150.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 63.240000000000002 111.096 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -171.57 156.09 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 74.310000000000002 110.891 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -177.41 123.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 53.409999999999997 110.894 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.39 -172.17 38.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 75.209999999999994 112.488 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.47 -44.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 73.329999999999998 110.86 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.73 168.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 75.129999999999995 110.864 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.22 175.56 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 65.140000000000001 111.084 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -79.2 -179.71 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 72.239999999999995 110.906 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -140.63 166.14 25.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 63.020000000000003 110.87 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -98.56 153.57 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 63.32 110.955 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.14 176.63 8.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 63.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.01 -176.79 16.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 33.439999999999998 112.486 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.05 14.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 70.0 112.326 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.619 ' H ' HD13 ' A' ' 36' ' ' ILE . 10.5 pt -118.35 -28.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 111.141 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB2' ' CB ' ' A' ' 53' ' ' ASN . . . -138.65 153.75 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 51.520000000000003 111.088 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.25 -38.77 57.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 41.229999999999997 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -61.17 -25.85 67.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 74.230000000000004 111.12 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -50.95 -31.02 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 61.299999999999997 111.114 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -40.18 97.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.150000000000006 110.887 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 p -65.22 -45.36 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 70.299999999999997 110.829 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -63.14 -33.42 75.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.540000000000006 110.893 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 t -61.71 -41.41 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 71.219999999999999 111.158 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -26.72 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 64.400000000000006 110.891 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.62 -22.32 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 74.120000000000005 111.136 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -60.44 -22.95 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 111.088 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.87 -32.16 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.904 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.47 159.89 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.672 0.749 . . . . 72.430000000000007 110.839 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 104.7 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 65.239999999999995 112.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -176.12 -171.89 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 111.171 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -127.64 124.37 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 61.039999999999999 110.88 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 6.9 p90 -115.47 130.86 57.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 62.119999999999997 110.877 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 1.9 tppt? -128.02 113.52 15.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 74.200000000000003 110.904 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.815 HD12 HD23 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -128.41 119.36 24.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 72.409999999999997 110.878 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.5 117.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.329999999999998 111.128 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.538 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -108.79 122.48 47.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -120.74 29.28 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 72.019999999999996 110.918 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -49.64 165.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.040000000000006 110.87 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -148.15 127.64 13.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.230000000000004 110.834 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -85.09 -69.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -134.19 152.51 51.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.319999999999993 110.852 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.58 -57.58 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 60.439999999999998 111.077 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.45 -115.87 0.5 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 71.329999999999998 112.486 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -160.52 30.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 73.019999999999996 110.838 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -172.62 50.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 74.329999999999998 110.964 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.07 75.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 73.420000000000002 111.095 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.95 -70.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 73.349999999999994 110.845 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -178.17 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 55.5 110.81 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.26 111.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 73.310000000000002 112.49 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.3 p -101.76 104.48 15.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.411 . . . . 63.219999999999999 110.828 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -106.7 -1.51 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 75.329999999999998 111.154 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.92 -169.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.120000000000005 111.101 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -57.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.239999999999995 110.852 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 63.52 -169.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.867 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 57.97 23.39 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 41.240000000000002 111.062 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.56 -28.44 0.11 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 74.049999999999997 112.47 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.48 -64.83 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 72.530000000000001 110.889 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 p 51.65 -171.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 55.109999999999999 111.128 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.579 ' HD2' HD23 ' A' ' 110' ' ' LEU . 25.3 p80 -174.96 -30.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 71.329999999999998 110.854 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.417 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 18.5 t80 -109.05 133.26 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.87 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.4 142.91 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 110.854 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.815 HD23 HD12 ' A' ' 51' ' ' LEU . 3.1 tm? -130.02 117.77 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.120000000000005 110.852 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.438 ' HG3' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -123.77 144.14 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 63.32 110.874 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.46 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -134.99 126.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 74.450000000000003 111.122 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -120.92 114.09 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.209999999999994 111.15 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.26 103.24 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 53.350000000000001 110.866 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.38 4.79 4.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 64.319999999999993 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.89 84.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 64.109999999999999 111.093 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.413 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER -176.38 94.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.109999999999999 110.898 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 124.77 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 61.409999999999997 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -144.5 -39.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 61.409999999999997 112.493 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 120' ' ' PRO . 4.6 pp -103.85 160.22 14.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.937 0.398 . . . . 71.099999999999994 110.921 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.573 ' HB ' HG22 ' A' ' 92' ' ' VAL . 49.0 p -46.72 105.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 74.409999999999997 111.142 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.608 ' HB2' HG23 ' A' ' 116' ' ' THR . 1.9 pt? -54.86 -26.07 32.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 110.886 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.573 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.2 m -56.98 -23.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 111.118 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -49.23 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 51.140000000000001 110.874 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -64.5 -47.46 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.549999999999997 110.885 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.544 ' CE1' HG22 ' A' ' 116' ' ' THR . 11.9 m170 -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.400000000000006 110.808 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.55 -33.13 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 71.109999999999999 110.941 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 94' ' ' ARG . 32.0 mt -60.47 -51.77 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 75.230000000000004 110.91 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.66 -27.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 54.539999999999999 111.078 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.8 p90 38.05 42.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 73.510000000000005 110.901 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.94 -26.52 37.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 51.399999999999999 112.465 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 114' ' ' ALA . 10.9 mp -51.8 151.69 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 35.140000000000001 110.938 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tt 63.92 74.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.210000000000001 110.949 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -133.31 -80.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 70.040000000000006 110.867 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.27 -22.48 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 73.299999999999997 110.876 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -52.01 58.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 55.119999999999997 110.883 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -57.85 -25.36 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.81 60.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.409999999999997 110.945 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.504 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -111.06 -45.52 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 72.540000000000006 111.129 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.549 ' O ' HD13 ' A' ' 110' ' ' LEU . . . 106.8 18.8 10.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 65.5 112.493 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.596 ' N ' HD22 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -121.26 134.57 55.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 75.409999999999997 110.906 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.3 169.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.540000000000006 110.863 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -139.17 161.73 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.509999999999998 111.068 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.6 150.13 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 53.450000000000003 110.867 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.786 ' HB3' HD21 ' A' ' 101' ' ' LEU . . . -152.25 142.5 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.420000000000002 111.083 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.7 mtm -142.74 120.37 11.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.230000000000004 110.918 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.608 HG23 ' HB2' ' A' ' 91' ' ' LEU . 6.4 t -122.4 114.71 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 61.240000000000002 111.135 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.31 110.23 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.319999999999993 111.145 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -132.81 146.0 51.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.430000000000007 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.413 HG23 ' HB2' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -58.7 159.61 12.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 74.120000000000005 111.118 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.827 ' HA ' HD23 ' A' ' 89' ' ' LEU . 53.7 Cg_endo -69.68 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.742 2.295 . . . . 70.439999999999998 112.322 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.24 -18.27 16.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 65.310000000000002 111.089 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.43 107.37 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 71.120000000000005 110.867 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 62.509999999999998 110.897 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ptp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.74 0.305 . . . . 72.140000000000001 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 61.05 85.51 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.129999999999995 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.15 121.85 3.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 75.109999999999999 112.505 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.64 125.97 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 75.099999999999994 110.876 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -149.26 113.34 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.55 -176.93 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 110.852 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 60.63 87.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 110.885 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -137.7 118.96 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 73.040000000000006 110.838 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -121.1 160.08 24.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 65.010000000000005 110.866 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -174.73 127.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 73.040000000000006 110.865 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.13 159.73 28.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 75.099999999999994 112.492 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.1 p -173.76 113.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 72.120000000000005 110.835 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -142.12 122.8 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 73.010000000000005 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -100.78 166.79 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 61.219999999999999 111.155 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.5 tt -140.98 145.89 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.219999999999999 111.124 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.52 145.63 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 54.219999999999999 110.869 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.77 177.44 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 63.340000000000003 110.871 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 tt -157.39 150.15 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.5 111.089 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.24 170.8 9.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 40.140000000000001 111.094 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -150.45 157.36 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 70.239999999999995 110.876 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -76.68 175.89 8.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 73.549999999999997 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.33 -158.03 7.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.774 . . . . 74.25 112.457 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -168.83 176.66 5.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 64.219999999999999 110.916 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.51 147.63 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.239999999999995 110.841 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -165.29 166.52 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 70.530000000000001 111.129 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.46 101.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 74.219999999999999 110.889 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -164.73 81.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 71.140000000000001 110.876 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.74 76.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 65.319999999999993 110.89 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.42 75.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 73.510000000000005 110.919 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.77 168.18 47.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 60.310000000000002 112.448 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' ILE . 54.1 Cg_endo -69.8 -48.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 75.209999999999994 112.366 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' PRO . 36.5 pt 37.43 42.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 62.130000000000003 111.121 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' ' 36' ' ' ILE . . . 179.94 105.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 73.439999999999998 111.08 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.41 50.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 72.120000000000005 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.78 -26.7 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.708 0.29 . . . . 71.450000000000003 111.13 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.46 -30.68 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 51.020000000000003 111.114 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.72 97.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.049999999999997 110.92 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 m -65.03 -43.87 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 65.019999999999996 110.864 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -62.27 -35.24 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.120000000000005 110.939 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.5 t -62.32 -37.66 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 64.120000000000005 111.167 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.59 -37.31 80.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.010000000000005 110.899 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -78.21 -20.71 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 111.103 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.04 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 62.32 111.111 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.0 -39.27 85.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 60.310000000000002 110.928 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.89 164.32 61.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.712 0.768 . . . . 64.450000000000003 110.846 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 63.42 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 73.540000000000006 112.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -151.4 177.23 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 65.510000000000005 111.155 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -129.7 125.43 35.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 62.140000000000001 110.858 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.481 ' CE2' HD13 ' A' ' 98' ' ' ILE . 6.4 m-85 -118.04 131.32 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.510000000000005 110.876 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -127.12 120.75 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 71.129999999999995 110.938 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -123.95 127.27 47.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 72.439999999999998 110.896 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -125.45 115.55 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.409999999999997 111.131 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.44 124.78 52.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 71.319999999999993 110.922 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.98 -33.89 8.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 75.019999999999996 110.873 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.43 -170.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 40.049999999999997 110.823 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -111.3 143.71 41.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.349999999999994 110.882 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -114.31 150.32 34.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 74.420000000000002 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.27 148.88 28.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 72.040000000000006 110.861 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.01 179.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 64.519999999999996 111.106 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.41 86.62 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 54.439999999999998 112.469 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.2 t60 59.5 44.97 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 74.310000000000002 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 56.66 93.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.450000000000003 110.902 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.43 98.06 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 75.530000000000001 111.074 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.43 109.87 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 73.120000000000005 110.907 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -166.91 46.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 71.150000000000006 110.859 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.45 118.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 75.25 112.504 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 p -114.95 160.0 20.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 70.340000000000003 110.867 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.3 m -123.75 -36.55 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 75.010000000000005 111.121 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 62.53 101.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.230000000000004 111.081 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 t -161.22 -58.06 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 72.340000000000003 110.828 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.79 99.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 74.120000000000005 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.05 107.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 55.520000000000003 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.53 -21.18 35.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 65.209999999999994 112.468 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' C ' HG23 ' A' ' 75' ' ' THR . 3.7 tp10 -69.37 -67.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 74.420000000000002 110.935 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.458 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.56 136.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 72.329999999999998 111.12 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.432 ' H ' HD23 ' A' ' 110' ' ' LEU . 63.3 m170 -121.88 -12.94 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.868 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.461 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 7.7 m-85 -112.0 136.55 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.504 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -147.88 118.0 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 74.109999999999999 110.874 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.718 ' HB2' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -111.86 117.0 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 62.210000000000001 110.906 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -121.69 145.48 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.129999999999995 110.9 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -143.45 126.95 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 74.310000000000002 111.115 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.5 m -119.53 115.15 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.240000000000002 111.157 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 104.22 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 53.329999999999998 110.885 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.55 3.48 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 74.439999999999998 110.842 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.05 77.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 65.530000000000001 111.146 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.559 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 179.38 78.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 54.009999999999998 110.87 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 142.59 35.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 63.399999999999999 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.58 -36.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.757 . . . . 73.310000000000002 112.533 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.664 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -115.77 161.76 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 41.520000000000003 110.891 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.665 ' OG1' HG22 ' A' ' 92' ' ' VAL . 9.1 t -44.09 127.34 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.319999999999993 111.143 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.71 -25.94 68.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 74.340000000000003 110.914 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.665 HG22 ' OG1' ' A' ' 90' ' ' THR . 4.7 m -57.21 -22.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 75.530000000000001 111.161 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -49.75 67.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.239999999999995 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -40.48 86.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.519999999999996 110.842 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -68.76 -33.32 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 72.430000000000007 110.895 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -74.11 -33.22 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 54.329999999999998 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.07 -51.41 61.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 74.239999999999995 110.976 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.481 HD13 ' CE2' ' A' ' 49' ' ' PHE . 9.3 pt -81.87 -20.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.150000000000006 111.137 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.8 p90 39.2 43.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 71.030000000000001 110.966 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.92 -37.6 18.6 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.73 . . . . 23.440000000000001 112.478 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 114' ' ' ALA . 7.8 tp -69.79 166.17 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.430000000000007 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tp 65.18 80.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 61.149999999999999 110.909 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.54 -88.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.299999999999997 110.852 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.446 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 10.6 t70 -80.67 -19.31 45.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 71.099999999999994 110.902 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.13 -40.57 70.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.7 -36.76 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.409999999999997 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -61.36 -31.22 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 74.420000000000002 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.22 -46.28 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 73.420000000000002 111.123 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.41 -6.46 39.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 62.439999999999998 112.495 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.739 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.62 143.79 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 73.530000000000001 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.319999999999993 110.864 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -140.08 163.74 31.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 72.209999999999994 111.093 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.53 125.56 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 73.109999999999999 110.914 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.754 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -123.54 141.76 51.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 64.400000000000006 111.073 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.8 mtm -142.77 120.42 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 64.329999999999998 110.842 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.472 ' CB ' HG13 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -125.68 122.39 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 42.200000000000003 111.129 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.47 109.79 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 72.540000000000006 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 121' ' ' ALA . 0.5 OUTLIER -135.18 142.68 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.911 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.559 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -63.04 159.77 44.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 62.549999999999997 111.135 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.467 ' HD2' HG22 ' A' ' 119' ' ' THR . 53.9 Cg_endo -69.8 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 75.430000000000007 112.326 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.441 ' HB2' ' HE2' ' A' ' 118' ' ' LYS . . . -86.02 -18.27 32.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 63.530000000000001 111.071 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.47 127.76 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 73.030000000000001 110.889 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 74.549999999999997 110.936 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.777 0.323 . . . . 65.420000000000002 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -64.4 154.26 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 65.329999999999998 110.909 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.89 -161.33 34.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 41.450000000000003 112.447 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.98 176.11 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 61.229999999999997 110.874 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.41 171.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 75.5 110.852 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -154.72 44.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 73.140000000000001 110.841 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -129.21 101.42 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 75.420000000000002 110.878 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -166.02 111.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.811 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -174.06 105.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 70.310000000000002 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.49 171.01 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 64.239999999999995 110.84 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.15 -152.15 6.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 73.120000000000005 112.528 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.1 -65.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 64.129999999999995 110.875 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' VAL . 9.6 m80 71.35 -70.0 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.200000000000003 110.878 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' HIS . 27.1 m 36.97 44.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 62.340000000000003 111.12 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.5 mm 65.31 151.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 75.040000000000006 111.136 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.71 153.14 22.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 62.310000000000002 110.857 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.83 164.51 19.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 73.150000000000006 110.83 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 pt -144.32 175.7 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 73.099999999999994 111.134 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.57 175.07 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 52.219999999999999 111.09 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m -143.63 -171.9 3.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 52.310000000000002 110.869 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -137.79 -177.38 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 110.895 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.54 -174.2 15.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 55.049999999999997 112.528 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.41 -176.56 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 73.430000000000007 110.861 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -135.52 178.21 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.099999999999994 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.06 166.45 21.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 72.230000000000004 111.13 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -152.01 165.29 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 60.229999999999997 110.884 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 179.46 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 63.219999999999999 110.857 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.11 106.3 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.931 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.9 mt -140.23 128.37 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 61.539999999999999 110.914 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.9 170.16 47.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 43.100000000000001 112.463 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.15 22.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 71.439999999999998 112.324 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.548 ' HB ' HD12 ' A' ' 36' ' ' ILE . 55.4 mt -137.22 -70.41 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 52.450000000000003 111.134 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -134.88 164.83 26.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 63.299999999999997 111.061 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.62 -38.56 52.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 52.009999999999998 112.51 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.28 -26.35 66.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 61.520000000000003 111.088 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.718 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.8 tt -52.27 -32.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 63.409999999999997 111.128 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -66.41 -37.77 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.230000000000004 110.914 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 m -64.47 -47.99 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.310000000000002 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 3.1 ptmt -63.94 -33.74 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 52.32 110.91 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.1 t -59.11 -40.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 71.349999999999994 111.16 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -55.13 -36.01 65.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.299999999999997 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.63 -21.48 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 70.329999999999998 111.133 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . . . -60.97 -24.87 66.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.510000000000005 111.108 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -21.55 62.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.140000000000001 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.6 161.05 26.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.668 0.747 . . . . 51.310000000000002 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 98.15 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 72.140000000000001 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -175.67 -171.55 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 75.030000000000001 111.138 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -128.45 146.77 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 72.049999999999997 110.848 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 5.6 p90 -130.11 134.24 47.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 75.150000000000006 110.856 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -127.93 117.28 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.430000000000007 110.909 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.02 HD12 HD23 ' A' ' 79' ' ' LEU . 1.4 tt -124.8 121.34 34.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 54.229999999999997 110.914 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.3 pp -121.95 113.95 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 71.340000000000003 111.156 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.27 126.86 55.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 64.530000000000001 110.884 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -43.99 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.109999999999999 110.845 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.32 -168.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.150000000000006 110.852 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -130.2 176.18 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 70.25 110.843 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -136.49 -52.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 72.310000000000002 110.918 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.412 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 54.6 p-80 -156.63 149.08 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 58' ' ' HIS . . . 67.33 -79.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.430000000000007 111.122 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.53 -73.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 64.25 112.483 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -134.11 24.69 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.31 . . . . 73.519999999999996 110.813 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.5 t80 72.21 -69.09 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 75.540000000000006 110.934 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . . . 58.18 24.28 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 111.1 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.409999999999997 110.916 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -144.28 25.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.030000000000001 110.856 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.55 158.48 28.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 60.32 112.49 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 p -169.73 -178.84 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.954 0.407 . . . . 71.230000000000004 110.832 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 t -61.81 -36.82 82.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 73.400000000000006 111.177 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 60.48 170.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.209999999999994 111.089 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -147.24 -63.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 71.409999999999997 110.839 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.12 57.97 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 62.229999999999997 110.86 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.93 -25.1 7.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 111.088 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -120.65 30.6 5.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 62.32 112.479 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' C ' HG23 ' A' ' 75' ' ' THR . 5.4 tp10 -106.6 -65.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 61.439999999999998 110.92 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.3 p 64.66 123.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 71.439999999999998 111.147 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.23 -16.85 9.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 73.219999999999999 110.846 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 105' ' ' GLU . 13.9 m-85 -112.23 135.63 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 62.409999999999997 110.896 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -145.91 136.52 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 71.319999999999993 110.877 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.02 HD23 HD12 ' A' ' 51' ' ' LEU . 2.6 tm? -129.61 118.32 21.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 110.911 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -138.35 144.33 40.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 72.400000000000006 110.851 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.713 HG22 ' HB ' ' A' ' 116' ' ' THR . 1.0 OUTLIER -124.67 143.62 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 61.310000000000002 111.149 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -119.51 112.35 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 61.149999999999999 111.162 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.53 102.83 9.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 110.873 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' HB2' HG23 ' A' ' 119' ' ' THR . 7.8 m-20 65.81 9.57 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.450000000000003 110.881 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.61 79.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 53.229999999999997 111.116 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.69 91.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.430000000000007 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.632 ' HE3' HD13 ' A' ' 91' ' ' LEU . 7.7 tttm -76.63 124.37 27.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.420000000000002 110.856 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.513 ' C ' HD13 ' A' ' 89' ' ' LEU . . . -140.63 -30.07 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 72.319999999999993 112.524 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -105.38 160.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 75.319999999999993 110.911 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.646 ' HB ' HG22 ' A' ' 92' ' ' VAL . 68.9 p -49.75 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.340000000000003 111.125 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.632 HD13 ' HE3' ' A' ' 87' ' ' LYS . 2.6 pt? -51.52 -25.78 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 73.129999999999995 110.94 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.646 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.5 m -55.96 -25.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 52.450000000000003 111.11 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.719 ' HE3' HD11 ' A' ' 97' ' ' LEU . 1.4 tmtp? -66.36 -51.16 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.140000000000001 110.888 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.5 -48.6 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.420000000000002 110.905 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.649 ' CD2' HD23 ' A' ' 101' ' ' LEU . 5.8 t-80 -59.88 -33.25 71.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 110.82 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.43 -32.8 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.129999999999995 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.719 HD11 ' HE3' ' A' ' 93' ' ' LYS . 46.2 mt -61.69 -50.15 73.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 pt -82.01 -33.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 111.14 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.0 p90 38.76 41.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.61 1.37 85.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 65.420000000000002 112.514 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.717 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 4.4 mm? -80.96 56.63 2.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 72.420000000000002 110.901 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.27 103.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 64.430000000000007 110.893 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.4 t 179.46 -77.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 62.219999999999999 110.887 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -78.8 -27.85 44.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 71.400000000000006 110.843 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.58 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 0.4 OUTLIER -52.98 -39.95 63.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 55.310000000000002 110.84 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -27.99 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 60.25 110.871 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -65.93 -16.83 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.030000000000001 110.915 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' A' ' 110' ' ' LEU . . . -116.96 -42.23 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 70.530000000000001 111.119 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.53 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.92 19.28 9.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 60.229999999999997 112.46 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -107.69 139.29 42.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 53.32 110.96 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.129999999999995 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' HB2' ' HG2' ' A' ' 105' ' ' GLU . . . -162.65 154.9 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 73.049999999999997 111.087 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.479 HD11 ' HE ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -122.4 151.14 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.340000000000003 110.931 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.717 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -132.24 126.75 34.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 60.439999999999998 111.135 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.4 mtm -142.24 116.95 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.420000000000002 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.713 ' HB ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -125.92 129.79 50.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 75.510000000000005 111.151 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 109.78 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 74.430000000000007 111.159 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 140.59 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 73.540000000000006 110.95 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.408 HG23 ' HB2' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -57.57 160.04 8.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 64.140000000000001 111.087 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.764 ' HA ' HD21 ' A' ' 89' ' ' LEU . 53.7 Cg_endo -69.74 171.87 13.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 73.010000000000005 112.34 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.32 14.23 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -130.06 121.19 25.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 53.399999999999999 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.918 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ptt? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.756 0.312 . . . . 61.140000000000001 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -120.79 119.16 31.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.420000000000002 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.19 167.25 11.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 62.140000000000001 112.474 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 t -177.8 -72.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 62.109999999999999 110.887 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.1 m80 63.01 166.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 74.239999999999995 110.865 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.33 -177.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 72.510000000000005 110.877 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -138.04 166.71 23.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 62.409999999999997 110.873 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -138.57 -173.86 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.349999999999994 110.836 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -157.66 -174.12 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 65.239999999999995 110.906 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.49 -170.1 3.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 74.120000000000005 110.829 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.45 -97.09 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 50.119999999999997 112.449 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.21 164.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 45.030000000000001 110.866 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.2 -174.18 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.130000000000003 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 m -151.3 165.46 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 61.520000000000003 111.133 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.477 HD13 ' N ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -172.82 146.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 75.340000000000003 111.129 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.477 ' N ' HD13 ' A' ' 15' ' ' ILE . 2.7 p -178.12 141.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 61.049999999999997 110.865 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -179.4 140.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 61.039999999999999 110.84 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.1 tt -176.9 136.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 70.319999999999993 111.127 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -178.27 133.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.019999999999996 111.106 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.41 129.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 71.109999999999999 110.819 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.56 136.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 75.340000000000003 110.893 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.09 120.39 1.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 72.540000000000006 112.518 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -179.28 107.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 74.030000000000001 110.862 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -174.76 96.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.862 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -178.26 105.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.109999999999999 111.08 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -174.9 102.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 52.520000000000003 110.872 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.21 150.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.310000000000002 110.861 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.2 167.83 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 110.962 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.0 mt -152.26 179.4 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.530000000000001 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.95 76.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 54.240000000000002 112.482 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 154.48 67.54 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.248 . . . . 74.400000000000006 112.32 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.667 ' N ' HD13 ' A' ' 36' ' ' ILE . 75.6 mt -141.79 -72.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.439999999999998 111.156 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.23 162.56 12.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 53.329999999999998 111.122 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.82 54.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 73.540000000000006 112.484 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.797 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.92 -25.69 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 73.049999999999997 111.106 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -50.77 -31.28 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 63.009999999999998 111.125 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -39.92 96.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 110.89 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -64.51 -45.23 88.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 74.510000000000005 110.905 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.3 pttm -64.15 -33.57 76.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.409999999999997 110.882 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 t -61.67 -38.16 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 70.540000000000006 111.112 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.15 -38.23 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.030000000000001 110.849 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.41 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -78.03 -19.4 54.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 35.350000000000001 111.105 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -57.32 -38.58 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 71.140000000000001 111.104 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.32 -37.21 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 72.329999999999998 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -73.3 166.64 41.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 54.43 110.893 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.71 75.02 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 73.25 112.332 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -172.89 174.26 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.230000000000004 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -127.87 125.55 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 75.319999999999993 110.891 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.53 ' CE2' HD13 ' A' ' 98' ' ' ILE . 11.0 m-85 -115.23 133.5 55.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 53.32 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 130.4 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 62.240000000000002 110.893 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 35' ' ' ALA . 5.9 tt -129.37 122.52 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 70.420000000000002 110.875 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 78' ' ' ARG . 1.4 pp -125.32 117.07 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.140000000000001 111.15 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -109.15 122.64 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 42.329999999999998 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -33.74 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 64.349999999999994 110.902 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.9 -175.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 53.140000000000001 110.876 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -150.66 150.91 31.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 54.450000000000003 110.868 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -64.73 -168.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.030000000000001 110.895 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.32 122.56 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 110.887 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.6 -175.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 72.230000000000004 111.082 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.62 55.64 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 74.230000000000004 112.504 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -122.48 -6.97 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.333 . . . . 75.140000000000001 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 64.48 -177.72 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 74.450000000000003 110.92 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.58 109.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 64.239999999999995 111.081 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 72.3 -69.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 74.120000000000005 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -168.32 28.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 62.25 110.852 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.99 82.84 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 64.540000000000006 112.498 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 p -65.03 -35.7 82.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 75.310000000000002 110.855 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 68' ' ' THR . 24.8 m 52.77 60.85 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.239999999999995 111.171 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.62 98.63 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 73.129999999999995 111.104 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 t -176.05 -76.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 73.129999999999995 110.821 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 49.82 86.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 70.129999999999995 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.78 119.9 20.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 64.109999999999999 111.126 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.44 51.09 57.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 75.129999999999995 112.47 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' C ' HG23 ' A' ' 75' ' ' THR . 6.8 tp10 -135.62 -74.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 75.530000000000001 110.913 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.457 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.1 p 63.5 142.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 72.420000000000002 111.155 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.423 ' CD2' HD11 ' A' ' 110' ' ' LEU . 4.8 m-70 -121.84 -23.66 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 70.510000000000005 110.851 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -112.18 135.24 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HG2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -138.78 146.08 40.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 110.861 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -126.25 114.79 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 71.140000000000001 110.938 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.94 149.22 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -143.62 129.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.049999999999997 111.141 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -118.3 120.24 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 54.43 111.123 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.45 104.45 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.310000000000002 110.869 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.05 8.95 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 74.439999999999998 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.21 77.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 70.230000000000004 111.118 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 179.82 92.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.049999999999997 110.914 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 138.57 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.030000000000001 110.907 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.52 -76.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.725 . . . . 61.039999999999999 112.454 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.1 159.73 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 73.109999999999999 110.94 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.686 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.8 t -47.94 129.84 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 70.120000000000005 111.135 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.549 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.2 pt? -71.9 -25.29 61.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.549999999999997 110.957 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.686 HG22 ' OG1' ' A' ' 90' ' ' THR . 6.3 m -56.68 -23.93 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 72.510000000000005 111.123 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.595 ' HE2' HD11 ' A' ' 97' ' ' LEU . 11.2 tmtt? -68.13 -49.42 61.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 52.420000000000002 110.876 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -47.23 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 75.310000000000002 110.844 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -34.14 76.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 64.310000000000002 110.896 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.87 -33.04 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.140000000000001 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.595 HD11 ' HE2' ' A' ' 93' ' ' LYS . 22.7 mt -61.14 -52.86 63.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.932 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.53 HD13 ' CE2' ' A' ' 49' ' ' PHE . 27.3 pt -82.96 -22.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.519999999999996 111.12 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 38.54 45.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.310000000000002 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.45 -8.47 57.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.753 -0.736 . . . . 73.299999999999997 112.455 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.117 HD13 ' HB2' ' A' ' 114' ' ' ALA . 7.0 tp -82.67 55.43 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 64.109999999999999 110.912 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.0 tp 179.18 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.926 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.2 -75.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 64.310000000000002 110.866 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -67.57 -33.88 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 71.230000000000004 110.865 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -38.22 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 71.299999999999997 110.879 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.46 -26.72 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.420000000000002 110.865 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -80.04 -13.92 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.519999999999996 110.946 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.82 -41.63 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.019999999999996 111.089 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.09 -7.41 40.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 62.329999999999998 112.519 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.74 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.22 143.08 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 64.140000000000001 110.942 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.84 173.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 70.329999999999998 110.867 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.47 163.17 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.439999999999998 111.109 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 148.86 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 73.219999999999999 110.931 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 1.117 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -141.83 141.05 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.329999999999998 111.127 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.5 mtp -143.07 120.08 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.409999999999997 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.467 ' CB ' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -122.83 124.64 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.439999999999998 111.129 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.65 109.92 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.140000000000001 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.93 139.24 46.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 71.129999999999995 110.883 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.583 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -53.07 158.94 2.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 61.310000000000002 111.192 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.512 ' HD2' HG22 ' A' ' 119' ' ' THR . 53.3 Cg_endo -69.8 -177.46 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 53.039999999999999 112.327 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.46 14.17 32.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 72.329999999999998 111.084 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.42 132.67 35.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 71.109999999999999 110.87 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.209999999999994 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.772 0.32 . . . . 70.120000000000005 110.854 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.11 135.08 44.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 75.530000000000001 110.879 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.8 122.4 1.03 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 34.32 112.456 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.64 132.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 73.209999999999994 110.862 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.82 147.63 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 60.119999999999997 110.849 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -169.77 146.0 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.039999999999999 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -130.7 -176.6 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.349999999999994 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -158.16 -176.18 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 72.150000000000006 110.842 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.52 131.95 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 63.520000000000003 110.912 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -121.8 -173.35 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 44.340000000000003 110.881 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.49 -155.03 6.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 75.409999999999997 112.498 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.03 168.09 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 72.129999999999995 110.841 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -177.29 144.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 75.420000000000002 110.876 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 p -158.57 139.98 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 111.094 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 pt -136.57 155.25 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 53.310000000000002 111.143 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -133.2 -177.47 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 61.299999999999997 110.863 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.49 -60.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 61.32 110.83 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 tt -158.66 149.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 64.129999999999995 111.133 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -164.27 138.36 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 70.209999999999994 111.092 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.2 t -163.4 163.1 25.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 110.829 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 -170.65 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.902 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.04 -158.57 33.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 75.430000000000007 112.508 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.2 p -136.7 -174.84 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 62.229999999999997 110.846 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.0 175.45 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 110.889 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.95 -170.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 65.209999999999994 111.059 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.61 178.4 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 110.899 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -127.4 174.78 8.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 60.329999999999998 110.841 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.63 ' C ' HD13 ' A' ' 29' ' ' LEU . 1.6 mt-30 -118.86 158.68 25.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 71.030000000000001 110.902 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.63 HD13 ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -155.46 165.2 37.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 60.409999999999997 110.923 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.26 177.85 5.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 64.010000000000005 112.491 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -85.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.623 2.215 . . . . 60.420000000000002 112.354 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 33' ' ' ALA . 3.2 mm 60.07 167.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 73.129999999999995 111.139 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -121.97 -151.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 72.209999999999994 111.077 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -47.05 -34.63 7.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 65.140000000000001 112.466 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . -52.95 -30.92 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 74.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.906 HG22 ' O ' ' A' ' 33' ' ' ALA . 19.0 tt -60.43 -32.17 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 64.140000000000001 111.144 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -37.2 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 72.310000000000002 110.901 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.2 t -64.85 -48.18 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 55.409999999999997 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 65.010000000000005 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.5 t -60.45 -37.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.120000000000005 111.108 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.56 -40.92 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 63.539999999999999 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.13 -22.14 66.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 75.340000000000003 111.105 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -61.46 -24.5 66.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 75.109999999999999 111.129 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.39 -23.59 64.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 64.409999999999997 110.861 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.63 161.35 25.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 51.020000000000003 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.28 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 64.120000000000005 112.337 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.422 ' HG1' ' H ' ' A' ' 48' ' ' HIS . 11.5 t -175.72 -171.31 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 64.329999999999998 111.11 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' H ' ' HG1' ' A' ' 47' ' ' THR . 3.0 t-160 -128.37 145.83 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.349999999999994 110.853 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 9.9 p90 -133.2 127.53 33.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 110.875 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -127.34 112.45 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 71.519999999999996 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -127.86 127.17 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.439999999999998 110.937 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -122.74 114.16 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.340000000000003 111.138 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.503 ' ND2' ' H ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -110.71 125.63 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 44.43 110.888 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.8 45.32 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 71.099999999999994 110.88 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.503 ' H ' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -44.37 136.57 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 64.340000000000003 110.903 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.66 129.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 64.549999999999997 110.873 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.08 153.85 22.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 74.340000000000003 110.887 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -113.88 122.52 47.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 75.319999999999993 110.875 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -173.11 -179.36 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.129999999999995 111.084 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.99 67.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 74.329999999999998 112.453 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -157.27 24.61 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 75.329999999999998 110.819 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -175.35 158.52 2.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 73.129999999999995 110.925 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.71 155.87 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 64.219999999999999 111.079 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? 52.02 78.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.903 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.61 55.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 73.209999999999994 110.859 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.34 -67.0 2.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 41.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t 63.36 81.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.955 0.407 . . . . 62.039999999999999 110.854 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -51.97 -30.27 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 73.329999999999998 111.125 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 59.16 95.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.209999999999994 111.075 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.6 t -152.22 -74.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 72.319999999999993 110.868 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.691 ' HB3' HD12 ' A' ' 110' ' ' LEU . 1.5 m-20 57.72 45.68 18.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.430000000000007 110.834 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.75 -23.98 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 52.119999999999997 111.096 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.22 -30.03 11.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 72.420000000000002 112.467 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' C ' HG23 ' A' ' 75' ' ' THR . 9.2 tp10 -67.94 -56.64 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 74.120000000000005 110.903 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.447 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.63 127.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 64.420000000000002 111.171 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -116.7 -17.16 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 51.439999999999998 110.881 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 9.1 m-85 -111.51 135.05 52.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.209999999999994 110.883 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HD2' HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -149.66 141.0 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 63.509999999999998 110.835 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.732 ' HB2' HD23 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -134.83 119.58 18.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.040000000000006 110.907 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -144.12 146.3 32.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 110.881 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.713 HG22 ' HB ' ' A' ' 116' ' ' THR . 2.9 m -132.0 141.85 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.439999999999998 111.083 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -119.23 113.64 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.519999999999996 111.124 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.06 104.18 11.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.409999999999997 110.808 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.68 8.7 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 73.230000000000004 110.868 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.99 80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.140000000000001 111.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.409 ' HB3' HG22 ' A' ' 119' ' ' THR . 2.7 t80 -177.53 75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.908 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 130.74 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 70.519999999999996 110.902 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.36 -63.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 51.240000000000002 112.503 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.25 160.06 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 71.409999999999997 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.736 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.4 t -46.53 128.04 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 111.159 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -71.73 -32.23 67.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 73.140000000000001 110.883 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.736 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.9 m -56.99 -21.78 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.319999999999993 111.102 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -50.01 59.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 74.510000000000005 110.939 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.788 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -67.61 -47.65 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 53.450000000000003 110.896 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -59.59 -35.32 74.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 62.409999999999997 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -34.34 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 71.310000000000002 110.923 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 94' ' ' ARG . 10.4 mt -61.32 -49.62 76.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 62.350000000000001 110.932 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.8 pt -82.84 -27.11 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 55.530000000000001 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.0 48.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 71.099999999999994 110.945 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.67 -36.83 5.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 45.329999999999998 112.511 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -76.05 65.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 50.520000000000003 110.917 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER 174.86 57.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.888 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.43 -75.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.349999999999994 110.83 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 33' ' ' ALA . 17.9 t0 -62.36 -40.52 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 52.409999999999997 110.857 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -30.65 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 110.871 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.34 -43.54 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.439999999999998 110.841 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -59.24 -20.02 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.530000000000001 110.85 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.64 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -93.16 -49.48 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 73.109999999999999 111.087 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.616 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 105.37 19.14 10.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 21.050000000000001 112.514 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.691 HD12 ' HB3' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -118.55 139.39 51.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 64.200000000000003 110.909 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.15 176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.430000000000007 110.853 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.619 ' CB ' HD11 ' A' ' 101' ' ' LEU . . . -157.83 158.45 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.340000000000003 111.116 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.65 130.39 52.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 70.209999999999994 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -117.78 111.75 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 41.100000000000001 111.107 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.697 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -138.84 118.79 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 74.319999999999993 110.842 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.713 ' HB ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -121.76 135.21 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 111.162 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 t -120.85 110.02 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.65 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 53.039999999999999 110.919 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 86' ' ' PHE . 1.2 p -51.09 159.08 1.08 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 74.349999999999994 111.15 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -170.73 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.678 2.252 . . . . 75.409999999999997 112.326 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.79 -18.2 18.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 62.219999999999999 111.131 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -97.07 122.25 39.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 73.099999999999994 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.519999999999996 110.942 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 mmt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 72.319999999999993 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.4 178.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 71.319999999999993 110.906 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.75 -170.33 31.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 74.120000000000005 112.472 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -152.39 157.22 40.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 74.049999999999997 110.893 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.11 131.87 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 65.25 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.75 160.63 18.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 74.540000000000006 110.846 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -108.82 126.69 53.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 75.219999999999999 110.916 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.13 136.43 51.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.019999999999996 110.83 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -76.67 175.21 9.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 110.828 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.47 179.14 6.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 74.319999999999993 110.873 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.59 -158.96 8.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 73.219999999999999 112.461 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.15 -175.81 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.372 . . . . 72.230000000000004 110.864 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -143.65 142.45 31.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 62.310000000000002 110.867 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 t -107.0 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 73.409999999999997 111.123 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 tt -127.17 144.81 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.120000000000005 111.13 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.71 -177.87 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.129999999999995 110.801 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -171.2 152.13 3.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 75.439999999999998 110.824 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.0 pp -132.37 174.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 74.430000000000007 111.14 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -167.86 156.0 8.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 30.329999999999998 111.075 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.85 132.03 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 72.140000000000001 110.895 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.93 158.64 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.200000000000003 110.875 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.08 132.32 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 62.240000000000002 112.52 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -174.86 152.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 62.109999999999999 110.839 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.4 ttm -173.02 153.86 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 63.5 110.846 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -172.35 155.33 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 71.239999999999995 111.148 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.79 125.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.423 . . . . 72.319999999999993 110.853 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.73 115.23 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.519999999999996 110.826 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.94 118.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 74.239999999999995 110.909 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -106.49 154.94 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 64.239999999999995 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.43 169.28 32.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 65.239999999999995 112.43 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.55 12.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.68 2.254 . . . . 75.319999999999993 112.311 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 36' ' ' ILE . 56.6 mt -135.88 -71.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 64.109999999999999 111.182 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.554 ' HB2' ' ND2' ' A' ' 53' ' ' ASN . . . -131.16 167.77 18.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 62.100000000000001 111.105 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.86 -37.0 51.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.703 -0.76 . . . . 53.450000000000003 112.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.632 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -60.68 -25.21 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.319999999999993 111.08 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.1 tt -50.75 -31.8 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.239999999999995 111.111 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -40.04 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 60.109999999999999 110.91 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -64.76 -45.6 85.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.510000000000005 110.866 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -64.29 -32.33 73.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 62.25 110.909 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.4 t -61.64 -42.22 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.129999999999995 111.106 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.66 -27.54 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 -20.71 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 32.43 111.096 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.48 -21.63 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.450000000000003 111.077 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.47 14.43 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.209999999999994 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.71 164.9 33.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.673 0.749 . . . . 70.030000000000001 110.867 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 77.46 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 71.299999999999997 112.361 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -176.42 176.64 1.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 63.5 111.156 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -129.15 125.49 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.209999999999994 110.868 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.721 ' CE2' HG21 ' A' ' 98' ' ' ILE . 8.8 m-85 -114.79 119.42 36.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 74.209999999999994 110.871 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' HD22 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -106.94 118.62 37.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 75.409999999999997 110.888 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.632 HD11 ' CB ' ' A' ' 35' ' ' ALA . 3.3 tt -125.62 121.14 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.420000000000002 110.914 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.3 114.44 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 72.200000000000003 111.127 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.554 ' ND2' ' HB2' ' A' ' 33' ' ' ALA . 2.1 t30 -115.35 124.38 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 61.310000000000002 110.851 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -65.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.450000000000003 110.866 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.32 132.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 70.439999999999998 110.882 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -139.99 172.99 11.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.230000000000004 110.876 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.01 -30.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 61.219999999999999 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.42 172.04 7.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 110.881 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.48 -56.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 75.409999999999997 111.127 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.01 -158.03 20.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 72.549999999999997 112.503 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -121.73 42.45 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 71.109999999999999 110.841 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -159.12 164.45 35.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 65.040000000000006 110.92 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.96 144.84 47.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 64.319999999999993 111.124 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 65.239999999999995 110.854 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.25 -35.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 64.150000000000006 110.84 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.96 121.99 0.65 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 70.409999999999997 112.504 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -175.81 156.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.41 . . . . 71.239999999999995 110.848 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.1 t -120.97 -37.56 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 71.510000000000005 111.129 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -177.96 -172.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 61.119999999999997 111.078 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.8 t -179.02 77.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 71.25 110.876 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -121.42 92.55 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 45.439999999999998 110.837 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.24 -30.71 11.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 111.045 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.89 42.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 64.420000000000002 112.463 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' C ' HG23 ' A' ' 75' ' ' THR . 0.5 OUTLIER -81.89 -62.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.987 0.422 . . . . 74.420000000000002 110.931 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.476 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.7 134.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 35.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 76' ' ' HIS . 2.0 p-80 -118.81 -16.95 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 64.109999999999999 110.892 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.581 ' HE2' HD12 ' A' ' 101' ' ' LEU . 3.3 t80 -111.31 138.3 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 110.884 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.49 132.3 18.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.099999999999994 110.873 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 51' ' ' LEU . 3.4 tm? -121.11 115.45 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.129999999999995 110.91 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -123.88 128.51 49.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.140000000000001 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -119.32 128.63 75.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 70.439999999999998 111.1 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.3 m -119.03 120.38 37.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 111.135 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.82 103.68 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 71.409999999999997 110.883 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.07 6.63 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 72.120000000000005 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 46.35 78.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 65.239999999999995 111.108 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.591 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 175.88 84.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 65.519999999999996 110.878 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 138.13 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 71.409999999999997 110.881 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.458 ' C ' HD13 ' A' ' 89' ' ' LEU . . . -148.54 -31.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 64.129999999999995 112.506 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -104.78 159.95 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 72.530000000000001 110.93 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.627 ' HB ' HG22 ' A' ' 92' ' ' VAL . 35.0 p -48.67 109.95 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.349999999999994 111.122 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.24 -25.33 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 110.926 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 90' ' ' THR . 35.9 m -55.92 -36.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 52.310000000000002 111.107 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -48.5 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.049999999999997 110.936 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.526 ' HB3' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -61.36 -36.66 80.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 74.109999999999999 110.825 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.99 -36.44 83.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 64.219999999999999 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.57 -33.27 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 53.140000000000001 110.948 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.77 -50.84 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 53.130000000000003 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.721 HG21 ' CE2' ' A' ' 49' ' ' PHE . 48.6 pt -82.85 -26.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.5 111.114 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.01 46.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.09 -31.89 5.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 73.230000000000004 112.456 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.581 HD12 ' HE2' ' A' ' 77' ' ' PHE . 15.0 tp -61.1 152.3 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 74.450000000000003 110.929 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 101' ' ' LEU . 1.5 tt 68.6 93.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.952 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.7 -67.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 60.299999999999997 110.852 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.51 -37.1 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 50.130000000000003 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -53.39 -31.46 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.519999999999996 110.931 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -27.93 58.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 60.100000000000001 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -27.92 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.409999999999997 110.91 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.38 -31.42 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 34.32 111.12 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.589 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 105.62 18.21 12.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 43.240000000000002 112.491 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.5 OUTLIER -119.59 139.57 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 65.329999999999998 110.885 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 62.310000000000002 110.884 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.56 149.94 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.239999999999995 111.116 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.2 130.94 53.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -133.79 145.22 49.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 71.310000000000002 111.106 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -142.84 120.49 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.219999999999999 110.84 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 94' ' ' ARG . 1.2 p -113.91 121.66 44.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 63.340000000000003 111.131 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -121.96 108.84 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 55.140000000000001 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -130.96 149.37 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 50.219999999999999 110.88 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -94.22 133.48 27.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.611 0.72 . . . . 75.230000000000004 111.138 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.726 ' HB3' HD11 ' A' ' 89' ' ' LEU . 53.8 Cg_endo -69.83 119.94 6.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 63.219999999999999 112.312 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.49 -18.29 36.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 111.089 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -91.04 96.12 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 64.310000000000002 110.922 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 70.150000000000006 110.915 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.759 0.314 . . . . 73.430000000000007 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -163.31 167.39 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 71.329999999999998 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.8 159.42 22.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 43.329999999999998 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.5 p -175.36 127.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 72.230000000000004 110.903 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -162.46 92.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.200000000000003 110.877 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -155.48 84.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 73.409999999999997 110.835 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -159.77 167.82 27.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 71.010000000000005 110.847 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -128.56 114.69 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 74.200000000000003 110.835 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.07 166.6 21.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 75.040000000000006 110.876 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.16 136.4 54.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.439999999999998 110.91 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.21 -162.86 6.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 53.439999999999998 112.517 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.3 p -174.54 168.94 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 74.430000000000007 110.87 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -157.56 132.24 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.847 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 m -116.07 159.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.409999999999997 111.144 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 pt -142.71 140.61 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.519999999999996 111.134 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -172.13 161.48 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.842 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.1 134.9 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 73.530000000000001 110.845 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.2 tt -60.03 -33.28 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 61.240000000000002 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.65 67.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 72.349999999999994 111.118 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.23 -61.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 64.310000000000002 110.895 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? 58.85 50.73 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 71.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -131.47 148.49 18.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 62.32 112.519 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.81 111.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 62.149999999999999 110.848 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -151.33 -169.96 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 74.040000000000006 110.926 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.73 161.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 73.349999999999994 111.071 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -177.01 -178.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.040000000000006 110.872 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.14 -171.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.109999999999999 110.855 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 58.4 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.209999999999994 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tp -125.27 104.67 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 51.310000000000002 110.926 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.0 175.63 47.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 42.219999999999999 112.513 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' O ' ' HB ' ' A' ' 32' ' ' ILE . 53.5 Cg_endo -69.82 -44.3 2.12 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.677 2.251 . . . . 52.149999999999999 112.302 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.71 ' HB ' HD13 ' A' ' 36' ' ' ILE . 37.4 mm 66.34 -77.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.349999999999994 111.132 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -153.36 147.29 25.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 44.020000000000003 111.133 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.67 -39.26 54.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 75.319999999999993 112.509 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.51 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 72.299999999999997 111.083 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.71 HD13 ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -51.9 -30.61 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 42.200000000000003 111.17 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.97 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.510000000000005 110.907 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 m -65.61 -43.51 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 74.510000000000005 110.881 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 73.310000000000002 110.877 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 36' ' ' ILE . 51.9 t -62.33 -39.02 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 65.540000000000006 111.131 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.7 -34.29 75.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.329999999999998 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.04 -19.92 46.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 71.540000000000006 111.16 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.59 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 34.200000000000003 111.098 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.82 -28.62 50.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 70.129999999999995 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -84.87 168.26 21.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 60.219999999999999 110.823 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 -4.92 15.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 53.229999999999997 112.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -79.5 177.78 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 75.400000000000006 111.141 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -129.7 134.4 47.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.099999999999994 110.843 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.44 126.18 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 64.010000000000005 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' O ' HD22 ' A' ' 79' ' ' LEU . 15.9 ptpt -122.71 123.83 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 70.25 110.881 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.674 ' HB2' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -125.74 126.55 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.239999999999995 110.935 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -122.7 114.36 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 73.349999999999994 111.143 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.31 125.32 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.209999999999994 110.907 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.24 -44.04 4.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 63.200000000000003 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t 51.05 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.450000000000003 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -92.75 -32.23 14.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.510000000000005 110.896 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 mttt 62.14 -175.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 52.32 110.916 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.24 130.93 46.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 61.310000000000002 110.893 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 62.76 168.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 51.420000000000002 111.104 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.33 -79.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 64.230000000000004 112.498 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -148.13 27.09 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 73.540000000000006 110.913 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.47 114.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.409999999999997 110.908 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.76 162.89 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 43.439999999999998 111.083 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.91 90.6 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 75.420000000000002 110.904 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -179.51 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 51.439999999999998 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.54 95.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 61.509999999999998 112.535 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.1 p -112.0 123.26 49.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 73.540000000000006 110.803 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -99.49 41.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 74.150000000000006 111.138 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.36 96.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 61.409999999999997 111.085 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -179.04 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.549999999999997 110.838 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 62.49 97.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 72.549999999999997 110.847 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.38 -35.18 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.530000000000001 111.055 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.56 40.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 52.310000000000002 112.48 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' C ' HG23 ' A' ' 75' ' ' THR . 39.9 tp10 -77.1 -52.18 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 73.340000000000003 110.904 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.456 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.57 126.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 75.209999999999994 111.113 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -118.11 -9.76 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.510000000000005 110.846 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 5.7 m-85 -112.61 135.35 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.903 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.521 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -148.71 127.59 12.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 73.510000000000005 110.882 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.674 HD23 ' HB2' ' A' ' 51' ' ' LEU . 3.3 tm? -120.66 117.21 26.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.099999999999994 110.914 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.13 133.75 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 75.299999999999997 110.868 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.461 HG13 HG22 ' A' ' 116' ' ' THR . 0.3 OUTLIER -126.11 129.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 111.118 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -119.35 115.13 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 55.200000000000003 111.162 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 103.54 9.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 63.439999999999998 110.871 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 68.18 5.45 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 63.020000000000003 110.878 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.32 78.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 32.100000000000001 111.123 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.499 ' HB3' HG23 ' A' ' 119' ' ' THR . 1.1 t80 -176.07 72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.887 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 143.16 28.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 110.853 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.03 -36.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 71.140000000000001 112.499 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.677 HD21 ' CD ' ' A' ' 118' ' ' LYS . 4.6 pp -101.99 160.6 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 44.039999999999999 110.93 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 p -45.08 110.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 111.169 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -53.34 -30.07 37.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.33 -20.5 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 62.329999999999998 111.159 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HE2' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.46 -49.03 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.200000000000003 110.933 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HG2' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.14 -40.5 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.450000000000003 110.872 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -69.22 -42.26 75.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 74.209999999999994 110.82 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.37 -32.73 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.874 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.81 -52.62 64.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 71.319999999999993 110.955 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.2 pt -84.02 -19.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 71.030000000000001 111.169 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.6 p90 38.23 58.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.430000000000007 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.94 -37.76 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 54.140000000000001 112.468 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.812 HD22 ' HB2' ' A' ' 114' ' ' ALA . 4.2 tp -65.33 171.61 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 74.219999999999999 110.888 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 tp 61.06 92.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 65.530000000000001 110.951 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -75.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.109999999999999 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -73.79 -29.84 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 42.5 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 0.4 OUTLIER -52.75 -41.8 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.935 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -29.29 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 73.340000000000003 110.855 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -73.78 -16.68 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 61.200000000000003 110.871 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.498 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -93.14 -42.51 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 73.519999999999996 111.104 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.34 -3.72 33.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 64.540000000000006 112.48 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.76 141.49 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 73.439999999999998 110.87 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.230000000000004 110.888 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -148.3 162.8 38.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.040000000000006 111.14 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.58 132.59 54.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.230000000000004 110.9 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.812 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -124.55 139.69 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 63.539999999999999 111.061 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.93 119.66 19.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 64.530000000000001 110.905 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.461 HG22 HG13 ' A' ' 81' ' ' VAL . 1.1 p -124.84 121.13 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 72.329999999999998 111.131 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -120.79 109.74 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 61.020000000000003 111.156 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.677 ' CD ' HD21 ' A' ' 89' ' ' LEU . 13.4 tmtt? -139.9 140.58 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.430000000000007 110.902 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.541 HG22 ' HD2' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -71.88 136.13 82.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.53 0.681 . . . . 70.129999999999995 111.138 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.555 ' HA ' HD23 ' A' ' 89' ' ' LEU . 53.9 Cg_endo -69.79 161.84 44.39 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.683 2.255 . . . . 71.150000000000006 112.331 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.38 14.17 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 64.340000000000003 111.106 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.5 105.43 15.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 74.530000000000001 110.918 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 73.109999999999999 110.883 -179.911 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 mtm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.765 0.317 . . . . 71.420000000000002 110.83 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -145.7 145.23 30.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.827 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.94 -101.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 65.329999999999998 112.482 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.51 164.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 73.299999999999997 110.875 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.51 -174.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 61.119999999999997 110.859 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -164.49 151.64 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 72.239999999999995 110.89 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.16 -178.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 73.209999999999994 110.84 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.69 153.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 61.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -178.38 169.58 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.230000000000004 110.831 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -170.8 175.19 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 71.010000000000005 110.834 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 137.3 179.13 16.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 42.310000000000002 112.49 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -165.78 169.95 14.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 73.430000000000007 110.857 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -173.1 170.75 4.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 74.109999999999999 110.841 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.1 177.18 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 71.409999999999997 111.113 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 pt -146.69 -178.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 65.340000000000003 111.135 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -177.96 126.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 61.450000000000003 110.869 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 t -174.28 123.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 63.450000000000003 110.857 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 pt -112.26 -26.15 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 72.129999999999995 111.103 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.55 163.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 43.420000000000002 111.145 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.06 137.79 14.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 70.129999999999995 110.846 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.85 -178.85 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.010000000000005 110.919 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.98 140.28 2.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 51.329999999999998 112.438 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 p -170.16 128.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 73.109999999999999 110.89 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.05 -175.11 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 71.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.05 95.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 111.107 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -120.87 66.95 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 63.329999999999998 110.865 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -111.72 144.72 40.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 60.329999999999998 110.847 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -175.18 -36.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.230000000000004 110.872 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.697 HD21 HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER 70.02 -72.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 74.140000000000001 110.921 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.89 67.24 1.73 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 61.340000000000003 112.467 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.92 20.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 73.200000000000003 112.355 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.638 ' H ' HD13 ' A' ' 36' ' ' ILE . 2.0 pt -115.96 -20.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.319999999999993 111.117 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . -149.97 153.33 36.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 60.25 111.087 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.52 -38.96 52.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 64.420000000000002 112.473 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.63 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 64.430000000000007 111.14 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.638 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -51.36 -31.27 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 111.102 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.11 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 71.239999999999995 110.909 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -63.69 -43.68 95.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.219999999999999 110.867 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.230000000000004 110.884 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.697 HG21 HD21 ' A' ' 29' ' ' LEU . 40.3 t -58.63 -36.07 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 52.100000000000001 111.147 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.71 -34.03 69.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.329999999999998 110.872 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.29 -18.69 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 63.219999999999999 111.132 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.36 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 52.240000000000002 111.119 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.21 -23.63 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 61.420000000000002 110.913 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.416 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -95.93 165.88 15.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.696 0.76 . . . . 74.129999999999995 110.889 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.79 76.49 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 64.340000000000003 112.35 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 t -155.48 177.38 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 50.43 111.154 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -129.15 124.93 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 55.149999999999999 110.866 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.534 ' HE2' HG21 ' A' ' 98' ' ' ILE . 6.7 m-85 -120.41 127.35 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.510000000000005 110.87 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 115.82 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 110.902 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -118.65 132.64 56.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.230000000000004 110.924 179.9 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.553 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.3 pp -125.28 114.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.420000000000002 111.159 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -110.27 125.3 52.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.858 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.13 46.88 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.329999999999998 110.812 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -46.34 138.28 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.200000000000003 110.829 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -137.46 128.64 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 61.450000000000003 110.859 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -76.64 176.57 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 63.439999999999998 110.902 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -100.24 142.28 31.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 72.409999999999997 110.873 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.98 -172.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.519999999999996 111.114 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.67 -91.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 34.049999999999997 112.531 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -171.09 59.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 73.409999999999997 110.897 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -100.36 74.99 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 64.420000000000002 110.879 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.81 -41.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.094 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? 63.23 27.05 15.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.319999999999993 110.878 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -117.72 -29.11 5.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.319999999999993 110.808 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.01 92.05 2.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 61.229999999999997 112.486 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.09 150.9 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 64.329999999999998 110.823 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.5 t -109.42 -30.8 7.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 71.430000000000007 111.137 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.56 -172.49 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 40.140000000000001 111.13 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.93 47.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 62.030000000000001 110.821 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.81 47.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 63.130000000000003 110.845 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.77 86.39 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 60.340000000000003 111.079 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.12 -15.64 8.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 61.340000000000003 112.522 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.68 53.41 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 73.299999999999997 110.892 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.557 HG22 ' C ' ' A' ' 111' ' ' HIS . 37.3 p -48.41 136.44 12.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 74.219999999999999 111.156 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.434 ' H ' HD23 ' A' ' 110' ' ' LEU . 2.1 m-70 -122.81 -9.11 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 62.329999999999998 110.825 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.448 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 7.1 m-85 -112.0 135.36 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.409999999999997 110.904 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 52' ' ' ILE . 1.8 ttp85 -148.84 137.71 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 74.010000000000005 110.911 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.748 ' HB2' HD23 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -125.45 117.65 24.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.099999999999994 110.898 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.17 141.14 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.898 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -144.28 127.01 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 65.409999999999997 111.111 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.42 ' HA ' HG23 ' A' ' 117' ' ' THR . 25.1 m -121.25 113.46 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 54.100000000000001 111.147 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -123.89 104.49 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 53.119999999999997 110.859 -179.861 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 2.7 m-20 77.19 -32.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.120000000000005 110.87 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 84' ' ' ASP . . . 70.71 58.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 61.420000000000002 111.098 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 119' ' ' THR . 4.2 m-85 -160.36 70.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 73.319999999999993 110.901 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 117' ' ' THR . 0.1 OUTLIER -54.91 149.07 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 54.539999999999999 110.916 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.1 -36.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 75.530000000000001 112.526 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.686 ' CD1' ' HB2' ' A' ' 121' ' ' ALA . 0.9 OUTLIER -114.51 162.08 17.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 75.349999999999994 110.855 -179.898 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.659 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.5 t -39.42 129.55 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 65.219999999999999 111.127 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.542 HD23 ' H ' ' A' ' 91' ' ' LEU . 1.0 OUTLIER -73.01 -24.34 60.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.120000000000005 110.909 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.659 HG22 ' OG1' ' A' ' 90' ' ' THR . 6.3 m -55.1 -23.32 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.140000000000001 111.13 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -49.12 53.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.219999999999999 110.913 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.564 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -66.76 -46.97 73.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 72.140000000000001 110.855 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.32 -37.37 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.884 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.75 -31.77 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 63.399999999999999 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 94' ' ' ARG . 17.4 mt -61.91 -49.73 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 74.219999999999999 110.905 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.534 HG21 ' HE2' ' A' ' 49' ' ' PHE . 29.5 pt -82.45 -32.59 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 73.219999999999999 111.087 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' ILE . 44.1 p90 38.24 45.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.909 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.89 -36.96 7.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 63.219999999999999 112.472 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.778 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 0.9 OUTLIER -76.72 62.37 1.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 74.230000000000004 110.936 -179.928 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.52 78.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.149999999999999 110.923 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -76.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 33.509999999999998 110.865 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -72.17 -32.79 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 72.420000000000002 110.856 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.01 -30.5 47.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 61.100000000000001 110.885 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -68.59 -37.68 80.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.430000000000007 110.859 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -59.45 -21.44 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.25 110.906 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.861 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -81.72 -53.38 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.349999999999994 111.101 179.831 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.66 6.76 28.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 34.340000000000003 112.508 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.861 HD11 ' HB1' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -121.9 144.25 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 74.209999999999994 110.948 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.557 ' C ' HG22 ' A' ' 75' ' ' THR . 39.2 m80 -53.53 178.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 110.883 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.589 ' CB ' HD11 ' A' ' 101' ' ' LEU . . . -153.88 151.06 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 43.310000000000002 111.091 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.85 132.62 54.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 71.299999999999997 110.891 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.778 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -128.88 136.01 49.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 111.121 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.2 mtt -124.0 118.43 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 110.856 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.431 ' CB ' HG13 ' A' ' 81' ' ' VAL . 5.7 t -123.93 121.56 35.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 51.229999999999997 111.155 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.421 ' HA ' ' HG2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -121.85 110.24 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 71.239999999999995 111.152 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.67 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.928 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 86' ' ' PHE . 0.7 OUTLIER -112.33 73.86 1.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 74.540000000000006 111.131 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.528 ' HG2' HD13 ' A' ' 89' ' ' LEU . 54.1 Cg_endo -69.69 -11.1 30.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 61.210000000000001 112.354 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.686 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . . . -81.55 -18.16 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 55.310000000000002 111.095 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -89.85 100.21 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 61.340000000000003 110.88 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.400000000000006 110.908 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.79 0.329 . . . . 72.319999999999993 110.924 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? 62.34 172.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 71.409999999999997 110.853 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.42 174.07 24.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 73.140000000000001 112.498 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.82 162.47 40.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 64.219999999999999 110.87 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.41 177.78 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 74.049999999999997 110.826 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -153.5 128.46 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 52.350000000000001 110.853 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -130.57 164.77 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.230000000000004 110.891 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -114.32 140.35 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 75.310000000000002 110.861 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.37 149.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.219999999999999 110.857 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -105.33 161.6 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 52.219999999999999 110.864 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.11 162.18 12.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 65.140000000000001 112.472 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.07 172.82 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 61.039999999999999 110.843 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -84.66 123.15 30.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 73.430000000000007 110.853 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 m -142.87 69.11 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 64.010000000000005 111.143 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 tp -59.94 -27.4 38.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 63.009999999999998 111.149 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.23 114.45 26.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 75.129999999999995 110.853 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.28 168.96 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 62.43 110.839 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 pt -110.05 177.65 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 71.099999999999994 111.129 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.17 166.79 25.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 61.030000000000001 111.074 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 m -67.94 170.0 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.877 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -42.52 70.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 70.519999999999996 110.876 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.69 167.39 14.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 54.219999999999999 112.449 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -129.79 -172.1 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 54.549999999999997 110.867 -179.742 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.2 ptp -167.14 154.17 8.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 63.520000000000003 110.836 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.83 85.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.299999999999997 111.089 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -114.65 30.62 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 44.25 110.88 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 56.17 25.58 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 75.530000000000001 110.872 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.13 -75.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 72.420000000000002 110.9 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.634 HD23 HG21 ' A' ' 52' ' ' ILE . 1.8 mp 56.31 -177.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 62.299999999999997 110.943 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.76 76.04 0.91 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.759 . . . . 64.200000000000003 112.494 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.548 ' O ' HG23 ' A' ' 32' ' ' ILE . 53.5 Cg_endo -69.77 -86.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 63.310000000000002 112.367 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -164.03 147.5 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.109999999999999 111.139 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 53' ' ' ASN . . . 178.83 151.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.319999999999993 111.118 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -38.39 51.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 72.329999999999998 112.507 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.88 -25.5 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 52.310000000000002 111.128 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.79 -29.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 60.240000000000002 111.152 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.85 99.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.019999999999996 110.914 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.310000000000002 110.826 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 15.2 pttt -62.8 -34.09 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 71.219999999999999 110.897 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.3 t -62.3 -41.97 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.120000000000005 111.112 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -58.82 -27.3 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.209999999999994 110.843 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.13 -20.38 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 74.430000000000007 111.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -29.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 74.400000000000006 111.058 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.3 -24.84 46.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.957 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.79 164.08 18.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 61.240000000000002 110.893 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 77.1 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 73.129999999999995 112.346 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -155.91 177.76 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 62.009999999999998 111.149 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -132.44 125.1 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.100000000000001 110.831 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' HE2' HG21 ' A' ' 98' ' ' ILE . 6.1 m-85 -117.27 120.86 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.25 110.879 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -111.0 114.3 27.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 71.200000000000003 110.902 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.633 ' HB2' HD23 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -127.78 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.430000000000007 110.914 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.634 HG21 HD23 ' A' ' 29' ' ' LEU . 1.1 pt -127.37 114.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.510000000000005 111.139 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 3.5 t-20 -110.91 126.01 54.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 64.549999999999997 110.881 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -65.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.878 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.68 160.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 71.319999999999993 110.825 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -123.13 94.86 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.200000000000003 110.849 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -56.92 177.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.519999999999996 110.905 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.436 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 19.5 p80 -133.67 167.54 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 72.099999999999994 110.847 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . . . 68.4 -78.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 72.239999999999995 111.053 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.76 -78.08 0.48 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 63.310000000000002 112.493 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -127.82 -38.84 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 74.230000000000004 110.89 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -167.37 58.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 75.109999999999999 110.892 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 59' ' ' ALA . . . -126.58 155.7 42.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 71.519999999999996 111.073 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -173.91 111.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 63.539999999999999 110.866 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -155.15 35.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.329999999999998 110.872 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.36 -81.94 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 65.140000000000001 112.462 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 t 63.11 77.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.988 0.423 . . . . 65.439999999999998 110.854 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -55.58 -27.06 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 73.239999999999995 111.126 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 58.68 175.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.420000000000002 111.105 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.0 t -179.52 160.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.866 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.2 120.47 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 60.539999999999999 110.89 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.39 -47.13 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.010000000000005 111.127 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.54 38.38 1.01 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 54.340000000000003 112.549 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -101.17 -50.46 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 74.209999999999994 110.925 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.756 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.2 p 59.22 178.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 52.43 111.127 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.58 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 70.030000000000001 110.873 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.415 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 56.0 t80 -108.02 134.13 51.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 63.240000000000002 110.871 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' A' ' 52' ' ' ILE . 5.5 ptm180 -151.21 136.89 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 63.130000000000003 110.875 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 51' ' ' LEU . 2.3 tm? -123.35 116.06 22.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.140000000000001 110.888 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.415 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -120.49 150.56 40.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 65.040000000000006 110.877 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -144.1 124.81 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 65.129999999999995 111.162 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -119.66 114.88 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.420000000000002 111.145 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.12 104.22 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 51.439999999999998 110.882 -179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.85 6.26 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 63.119999999999997 110.839 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.61 80.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 111.097 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.659 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.79 91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.439999999999998 110.844 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -78.75 148.63 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 64.420000000000002 110.874 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.74 -30.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 43.329999999999998 112.465 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.618 HD21 ' CD ' ' A' ' 118' ' ' LYS . 4.2 pp -93.48 161.26 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 74.209999999999994 110.927 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.42 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -42.06 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 73.430000000000007 111.095 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.558 ' HB2' HG23 ' A' ' 116' ' ' THR . 2.3 pt? -68.58 -34.86 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.400000000000006 110.954 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.7 m -59.96 -29.94 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 111.102 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.531 ' CE ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.96 -44.04 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 61.240000000000002 110.911 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -47.66 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 63.329999999999998 110.844 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -59.86 -37.47 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.450000000000003 110.85 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -73.06 -38.38 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.9 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.531 HD11 ' CE ' ' A' ' 93' ' ' LYS . 12.6 mt -51.93 -50.67 60.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 110.895 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.561 HG21 ' HE2' ' A' ' 49' ' ' PHE . 24.3 pt -77.97 -34.86 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 51.329999999999998 111.132 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 t80 46.05 49.26 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.040000000000006 110.925 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.9 -13.84 33.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 52.130000000000003 112.467 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -69.58 160.2 31.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 64.540000000000006 110.872 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.5 tp 65.15 100.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.439999999999998 110.916 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.77 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 64.209999999999994 110.824 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.4 -39.79 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 64.329999999999998 110.891 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.57 -43.39 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.120000000000005 110.879 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -58.45 -31.82 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.109999999999999 110.885 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -27.84 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 75.510000000000005 110.93 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.871 ' HB3' HD12 ' A' ' 110' ' ' LEU . . . -103.5 -25.14 13.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.129999999999995 111.111 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.02 4.14 90.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 53.240000000000002 112.493 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.871 HD12 ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -76.3 147.54 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 72.140000000000001 110.898 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -73.41 132.03 42.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.209999999999994 110.881 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -115.51 162.81 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 71.310000000000002 111.091 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.36 151.19 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 74.439999999999998 110.943 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.67 140.98 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 63.329999999999998 111.071 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.5 mtp -143.11 119.5 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 73.239999999999995 110.852 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' ' 91' ' ' LEU . 3.5 t -128.33 113.45 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 63.509999999999998 111.143 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.33 109.85 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 74.040000000000006 111.137 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.618 ' CD ' HD21 ' A' ' 89' ' ' LEU . 2.5 tttm -133.64 141.89 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 64.420000000000002 110.924 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -79.2 133.91 59.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.574 0.702 . . . . 64.450000000000003 111.149 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.426 ' HD2' HG22 ' A' ' 119' ' ' THR . 53.7 Cg_endo -69.77 165.46 30.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 63.210000000000001 112.35 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.97 -18.19 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.040000000000006 111.123 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.05 117.81 33.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 73.129999999999995 110.842 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 63.039999999999999 110.945 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' O ' HG12 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.843 0.354 . . . . 73.21 111.103 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.67 83.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 63.13 112.471 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.675 ' HB1' HD13 ' A' ' 51' ' ' LEU . . . -63.84 -37.43 87.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 74.2 111.113 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -50.5 -31.15 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.127 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.52 99.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.847 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.63 ' OG ' HD12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -65.24 -43.7 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 61.31 110.873 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' A' ' 51' ' ' LEU . 4.3 mtmm -62.04 -40.64 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 70.22 110.938 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.0 t -55.07 -42.68 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 54.03 111.098 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -56.71 -27.16 58.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.859 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.62 -17.81 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.083 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.87 44.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 62.44 111.115 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.02 -20.49 39.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.921 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.59 164.41 15.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.68 0.752 . . . . 73.03 110.861 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.69 21.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 35.45 112.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -60.95 175.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 64.32 111.142 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -129.36 145.99 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.884 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.647 ' HE2' HD13 ' A' ' 98' ' ' ILE . 13.4 m-85 -132.02 121.3 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 70.33 110.881 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 70.5 110.906 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.675 HD13 ' HB1' ' A' ' 35' ' ' ALA . 5.2 tt -126.42 123.46 37.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.909 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.63 117.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 65.14 111.138 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -111.94 122.24 47.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.76 -44.03 5.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.929 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.68 155.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.85 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 75.41 110.854 179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.84 0.352 . . . . 74.23 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.93 -14.44 8.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 72.24 110.83 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.447 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 51.2 t80 -114.39 135.18 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.852 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -147.67 142.88 27.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 75.45 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 51' ' ' LEU . 3.0 tm? -128.86 118.55 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.921 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -126.9 154.72 44.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.892 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.465 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.5 OUTLIER -144.54 133.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 70.51 111.099 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -119.97 114.7 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 61.31 111.154 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.21 103.88 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 74.23 110.838 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 68.0 6.32 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.914 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.1 79.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.54 111.139 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.7 83.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 138.48 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.891 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.63 -54.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 71.52 112.48 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -73.94 161.35 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 73.4 110.959 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.503 ' C ' HD22 ' A' ' 89' ' ' LEU . 34.1 p -46.37 100.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.15 111.132 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.536 ' HB2' HG23 ' A' ' 116' ' ' THR . 2.0 pt? -52.62 -31.73 38.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.928 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.451 ' H ' HD23 ' A' ' 91' ' ' LEU . 18.2 m -57.39 -20.88 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 73.13 111.119 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -49.26 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.882 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.523 ' HB2' HG21 ' A' ' 116' ' ' THR . 26.5 mmm180 -60.78 -47.46 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.922 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.411 ' NE2' HG22 ' A' ' 116' ' ' THR . 22.1 m-70 -60.7 -44.55 96.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 65.22 110.88 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.11 -32.47 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.936 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.72 -50.54 73.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.872 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.647 HD13 ' HE2' ' A' ' 49' ' ' PHE . 28.5 pt -83.66 -22.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.118 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ILE . 24.3 p90 37.56 55.26 1.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.961 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.78 -37.72 3.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 42.3 112.472 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.917 HD21 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -53.69 158.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 72.34 110.913 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp 65.52 37.03 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.2 p -116.46 -79.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 61.53 110.847 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.34 -25.31 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 54.12 110.86 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -35.71 75.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.851 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.3 -34.47 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.91 -24.98 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.99 23.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 53.44 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.33 -5.23 38.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 51.25 112.478 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.714 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.81 144.99 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 71.31 110.931 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -49.17 168.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.851 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -137.59 161.99 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.13 111.11 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.25 137.59 53.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.927 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.917 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -137.8 143.47 41.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.113 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.7 mtt -142.86 119.81 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.835 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 91' ' ' LEU . 5.6 t -118.48 124.18 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 61.21 111.122 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -120.52 117.33 27.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 52.02 111.145 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.87 147.98 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 65.32 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 84' ' ' ASP . 1.2 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 73.13 111.114 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.853 0.359 . . . . 54.02 111.11 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.01 -40.63 66.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 43.14 112.557 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.28 -26.62 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 72.12 111.087 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.725 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.1 tt -51.97 -32.0 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.097 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -66.84 -37.2 84.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.872 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 m -65.08 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 63.15 110.813 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 2.8 ptmt -63.73 -33.67 76.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 43.03 110.946 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 36' ' ' ILE . 41.8 t -59.48 -42.22 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.124 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -26.69 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.877 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.26 -21.6 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 71.42 111.172 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -61.17 -23.47 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 31.23 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.46 -19.74 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 55.41 110.906 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.66 157.9 36.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.656 0.741 . . . . 73.24 110.868 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 77.74 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 70.15 112.369 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.4 ' HG1' ' H ' ' A' ' 48' ' ' HIS . 12.5 t -152.86 -171.39 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 53.14 111.162 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.4 ' H ' ' HG1' ' A' ' 47' ' ' THR . 3.5 t60 -128.39 146.28 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 73.51 110.833 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 8.2 p90 -133.92 133.41 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.872 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.56 115.63 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -126.29 120.32 29.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 61.03 110.927 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.505 HD11 ' CD ' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.24 116.91 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.43 111.098 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.83 122.74 47.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.52 110.859 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.95 -45.5 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 43.22 110.866 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.86 -169.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 42.32 110.9 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.851 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.518 HG21 HD23 ' A' ' 113' ' ' LEU . 1.2 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.865 0.364 . . . . 73.21 111.135 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -124.92 -29.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.51 110.858 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 51' ' ' LEU . 19.0 t80 -112.42 138.0 49.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 74.2 110.924 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.505 ' CD ' HD11 ' A' ' 52' ' ' ILE . 2.2 ptm180 -147.15 141.93 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.898 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.931 HD23 HD12 ' A' ' 51' ' ' LEU . 3.3 tm? -131.33 123.7 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.31 110.877 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.85 140.52 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 50.14 110.842 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 ' HD3' ' A' ' 94' ' ' ARG . 3.5 m -124.58 139.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 73.12 111.144 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -120.09 114.48 22.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.141 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.93 105.56 14.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 53.23 110.852 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.38 6.9 5.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 62.02 110.846 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.92 77.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 42.24 111.073 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.484 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER 178.54 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 73.02 110.861 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.59 141.06 55.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.82 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.6 -40.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 70.44 112.491 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.96 160.61 14.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 71.55 110.901 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.777 ' OG1' HG22 ' A' ' 92' ' ' VAL . 9.0 t -43.61 124.81 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.32 111.191 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.9 pt? -71.92 -27.35 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.919 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.777 HG22 ' OG1' ' A' ' 90' ' ' THR . 4.0 m -60.53 -18.14 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.131 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -50.26 65.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 65.54 110.893 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.491 ' HD3' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -68.19 -47.96 66.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.883 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -59.08 -34.97 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.855 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.36 -34.51 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.938 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 94' ' ' ARG . 26.0 mt -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.2 110.905 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.7 pt -81.84 -31.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 63.12 111.149 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.0 p90 38.82 41.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 65.11 110.926 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -83.81 -32.16 24.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 64.32 112.508 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -51.23 161.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 72.42 110.874 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.1 tp 63.85 91.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 72.12 110.891 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.43 -74.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.812 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -72.29 -40.86 67.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.53 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.48 -31.51 46.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 73.2 110.852 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -39.97 92.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 71.45 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -59.6 -20.38 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.936 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.422 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -101.88 -38.9 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.12 111.118 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.14 11.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 65.23 112.514 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 110' ' ' LEU . 1.2 mm? -114.51 140.08 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 65.25 110.925 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.884 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.44 161.0 38.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 52.41 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.518 HD23 HG21 ' A' ' 75' ' ' THR . 0.2 OUTLIER -125.76 150.88 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 61.11 110.912 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.629 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -136.65 128.26 28.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.52 111.146 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.423 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.8 mtt -142.36 118.92 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.897 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 81' ' ' VAL . 7.5 p -121.25 126.35 49.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 72.11 111.167 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.62 109.62 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.23 111.138 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 146.18 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.859 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.484 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 75.23 111.127 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB1' ' HB2' ' A' ' 104' ' ' ASP . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.786 0.327 . . . . 73.31 111.096 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.61 -37.72 50.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 74.32 112.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.533 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.21 -25.84 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 71.23 111.099 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -51.45 -31.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.3 111.087 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -37.73 86.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 53.11 110.9 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.5 m -64.87 -48.1 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.902 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 36' ' ' ILE . 37.4 t -60.66 -42.33 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.23 111.119 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.0 -33.83 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.877 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HB1' HH12 ' A' ' 94' ' ' ARG . . . -70.72 -19.92 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 62.31 111.093 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.52 -29.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.26 -20.18 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 71.52 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.0 164.46 15.48 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.679 0.752 . . . . 75.14 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -14.4 35.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 53.13 112.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.686 HG21 ' NH1' ' A' ' 94' ' ' ARG . 12.9 t -59.23 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 65.44 111.109 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -128.7 139.97 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 55.03 110.888 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -123.32 133.16 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 63.44 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.6 114.99 18.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 72.3 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.088 HD12 HD23 ' A' ' 79' ' ' LEU . 4.0 tt -126.67 120.12 28.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 65.04 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.2 pp -126.77 116.11 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 63.12 111.151 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.76 122.02 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 63.42 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 -33.71 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.857 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.2 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 72.33 110.843 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.4 t60 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.869 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.427 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.1 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.819 0.343 . . . . 73.42 111.14 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -122.09 -23.88 5.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.811 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -112.91 140.68 47.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 72.13 110.891 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 52' ' ' ILE . 2.1 ptm180 -147.71 140.18 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 51.33 110.855 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.088 HD23 HD12 ' A' ' 51' ' ' LEU . 2.0 tm? -128.72 118.36 22.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 70.44 110.933 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -133.33 138.85 46.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.912 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.34 135.25 63.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.093 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.412 ' HA ' HG23 ' A' ' 117' ' ' THR . 73.3 m -118.61 114.26 22.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 65.23 111.159 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.61 107.83 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.894 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.65 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER 68.75 4.08 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.862 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.83 81.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -176.73 57.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 63.22 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 145.39 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.2 110.857 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.57 -90.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 53.54 112.501 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.43 160.29 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 74.32 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 p 58.11 33.29 23.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.147 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -72.27 -34.4 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 64.33 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.25 -24.26 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 63.2 111.147 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.425 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 2.1 tttm -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.23 110.914 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.686 ' NH1' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -66.78 -48.97 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.883 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.8 -38.11 86.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 53.1 110.888 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.21 -38.04 63.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 72.21 110.92 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.425 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.7 mt -51.77 -50.53 60.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.921 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.424 HD12 HD11 ' A' ' 79' ' ' LEU . 10.0 pt -77.94 -40.58 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 64.3 111.107 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.7 t80 44.58 58.5 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.885 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.56 -35.22 4.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 72.4 112.499 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 112' ' ' ALA . 35.4 tp -50.69 158.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 52.13 110.931 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.38 87.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 70.54 110.924 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.35 -77.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 55.3 110.84 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.562 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 26.3 t0 -78.6 -32.84 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.34 110.85 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.81 -31.27 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 62.22 110.875 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -63.09 -42.17 99.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -61.95 -18.28 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.83 -38.62 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 53.24 111.079 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.21 -7.06 40.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 52.02 112.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.733 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.35 143.09 48.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 71.05 110.906 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.99 177.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.831 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.596 ' HB3' HD11 ' A' ' 101' ' ' LEU . . . -130.94 161.06 32.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 63.43 111.049 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 75' ' ' THR . 0.7 OUTLIER -122.51 128.94 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 65.55 110.921 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.0 140.14 45.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 62.23 111.117 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.11 120.5 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.887 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.2 t -107.57 129.18 55.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 63.22 111.143 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.412 HG23 ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -120.96 107.63 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 52.23 111.17 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.4 144.36 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.852 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 84' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 72.23 111.157 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.783 0.325 . . . . 71.45 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -39.68 96.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 70.3 112.495 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.23 65.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 73.52 111.138 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -50.95 -30.69 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.55 111.125 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 61.1 110.877 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -65.03 -48.05 75.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 63.12 110.89 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -63.31 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.24 110.913 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 36' ' ' ILE . 30.8 t -61.65 -40.45 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 61.52 111.096 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.13 -32.72 66.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.842 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.28 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 54.31 111.102 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -59.61 -22.08 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 72.45 111.055 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.53 -19.97 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.471 ' OG ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -108.12 164.41 14.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 64.34 110.866 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -5.97 17.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.696 2.264 . . . . 72.34 112.353 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.471 HG22 ' OG ' ' A' ' 45' ' ' SER . 13.4 t -57.75 -175.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 71.04 111.169 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.407 ' H ' ' HG1' ' A' ' 47' ' ' THR . 4.7 t-80 -128.53 129.2 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.873 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 13.2 p90 -122.39 127.4 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.847 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.88 114.79 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.901 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.653 HD12 HD23 ' A' ' 79' ' ' LEU . 1.3 tt -126.79 120.38 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 52.03 110.877 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.74 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.08 114.06 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 55.54 111.123 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.92 123.12 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 72.15 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -37.74 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.25 110.818 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' A' ' 108' ' ' ALA . 5.8 t 50.69 -168.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.875 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 60.11 110.883 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.794 HG21 HD21 ' A' ' 113' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.851 0.358 . . . . 74.23 111.142 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -129.34 -32.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.866 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -112.87 134.02 54.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.74 ' HD2' HD11 ' A' ' 52' ' ' ILE . 1.9 ptm180 -149.61 143.24 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.878 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 51' ' ' LEU . 3.3 tm? -130.54 118.08 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.911 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.01 141.45 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 73.42 110.825 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -136.25 126.15 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 72.33 111.167 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -119.83 114.06 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.23 111.121 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.68 7.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.84 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.19 77.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 64.54 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.511 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 177.77 86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 62.24 110.862 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.56 143.56 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.873 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.67 -42.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 64.24 112.483 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.23 161.41 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 71.32 110.896 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.9 t -41.51 127.28 3.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 71.02 111.135 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.1 pt? -71.75 -24.64 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.901 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.693 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.0 m -55.86 -26.88 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 61.12 111.117 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.466 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 5.8 tmtm? -69.18 -50.76 44.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.54 110.857 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -47.95 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 73.14 110.852 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.91 -36.63 77.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.87 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -73.59 -37.31 65.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.23 110.933 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.466 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.7 mt -52.56 -51.71 58.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.914 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.1 pt -79.22 -40.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 64.03 111.137 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 t80 41.5 59.05 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 63.2 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.44 -37.14 3.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 60.15 112.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 162.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 71.41 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.81 99.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 62.04 110.904 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.85 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 63.33 110.858 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.19 -40.58 30.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.893 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.883 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.27 -48.09 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 61.15 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -59.17 -19.7 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.77 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -89.21 -58.22 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.31 111.074 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 106.82 19.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 74.42 112.503 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.77 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 0.6 OUTLIER -112.28 140.53 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 64.34 110.918 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.9 166.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.834 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.599 ' C ' HD23 ' A' ' 113' ' ' LEU . . . -141.07 162.69 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 43.54 111.101 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.794 HD21 HG21 ' A' ' 75' ' ' THR . 0.8 OUTLIER -121.24 149.62 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.944 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.21 118.57 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.24 111.07 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.3 mtp -142.31 118.94 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.882 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.472 ' CB ' HG13 ' A' ' 81' ' ' VAL . 5.3 t -128.53 116.25 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.149 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 t -121.31 108.3 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 54.54 111.136 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -124.29 149.95 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.575 0.703 . . . . 74.41 111.144 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.867 0.365 . . . . 74.44 111.114 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.46 -39.0 52.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.13 112.486 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.45 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.309 . . . . 54.21 111.095 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 33' ' ' ALA . 0.7 OUTLIER -51.78 -32.85 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 65.1 111.131 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -42.01 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.877 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -64.74 -43.56 92.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.51 110.836 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -33.94 75.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 70.5 110.868 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.17 -42.24 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.102 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.68 ' O ' HD22 ' A' ' 44' ' ' LEU . 34.0 mm-40 -55.17 -30.91 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.92 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.37 -23.88 27.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 63.14 111.06 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.92 -34.29 77.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 70.42 111.075 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -60.57 -18.22 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.877 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.652 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -103.36 161.8 21.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.686 0.755 . . . . 73.44 110.857 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 95.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 75.23 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -176.21 -167.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.13 111.091 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 143.77 51.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.53 110.841 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -133.43 128.63 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -127.52 113.21 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.933 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.871 HD12 HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -128.06 119.42 25.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.92 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.33 115.61 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 74.1 111.092 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -110.76 123.43 50.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 72.55 110.932 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.74 38.81 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -46.55 152.92 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 44.11 110.855 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.7 t60 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.844 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.88 0.371 . . . . 53.11 111.128 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 110' ' ' LEU . 23.5 p80 -175.76 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.863 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.401 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 53.4 t80 -106.59 133.77 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.905 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -148.82 143.88 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.879 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.871 HD23 HD12 ' A' ' 51' ' ' LEU . 3.4 tm? -131.78 118.76 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.928 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 142.69 49.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 62.22 110.912 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 94' ' ' ARG . 3.4 m -128.96 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 61.44 111.188 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.455 ' HA ' HG23 ' A' ' 117' ' ' THR . 20.8 m -120.51 113.51 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.04 111.115 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.22 107.74 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.843 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.86 6.47 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.876 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.71 82.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.1 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.409 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 179.86 80.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.837 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 130.84 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.876 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.98 -62.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 44.13 112.471 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.53 160.19 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 53.33 110.902 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.734 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.0 t -45.87 127.74 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 73.22 111.16 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -71.81 -32.95 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.933 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.734 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.8 m -56.99 -22.18 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.55 111.115 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.409 ' CB ' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -66.87 -49.05 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 72.12 110.888 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.52 ' HG2' HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -67.2 -48.6 67.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 72.23 110.876 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.533 ' HD2' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.07 -30.04 70.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.795 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.94 -45.28 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 54.51 110.924 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.3 mt -52.83 -50.21 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 52.44 110.937 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 25.4 pt -82.22 -25.07 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 55.51 111.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.6 p90 37.93 43.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.941 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.41 -24.67 62.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 64.51 112.528 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' CB ' ' A' ' 114' ' ' ALA . 7.2 mp -58.1 155.71 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 73.01 110.894 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.57 105.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 65.42 110.861 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.42 -74.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 42.4 110.852 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -77.32 -41.66 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 71.23 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.4 ' HA ' ' CE1' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -54.1 -30.58 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 70.12 110.917 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -62.97 -27.95 69.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 74.52 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -79.5 -19.52 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 75.33 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -94.73 -45.19 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.03 111.079 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.563 ' O ' HD13 ' A' ' 110' ' ' LEU . . . 105.7 18.56 11.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 71.3 112.482 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 76' ' ' HIS . 0.4 OUTLIER -121.32 137.09 54.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 74.32 110.937 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.18 179.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.918 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -147.56 161.19 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 63.45 111.123 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.57 146.91 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.11 110.9 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.645 ' CB ' HD21 ' A' ' 101' ' ' LEU . . . -141.58 143.5 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 63.14 111.123 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.405 ' HA ' HD12 ' A' ' 91' ' ' LEU . 8.7 mtm -142.47 120.11 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.04 110.924 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.45 ' HB ' HG22 ' A' ' 81' ' ' VAL . 10.7 p -116.03 125.48 52.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 55.4 111.124 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.455 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.8 t -120.22 109.81 15.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 73.53 111.098 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.82 144.92 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 61.52 110.899 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.409 HG23 ' HB2' ' A' ' 86' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 52.2 111.17 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.832 0.348 . . . . 62.32 111.099 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -37.63 50.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 61.24 112.492 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.27 -26.51 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 72.12 111.112 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -51.81 -31.55 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.22 111.147 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -62.97 -40.69 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.54 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -64.88 -45.28 86.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.848 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.22 -33.69 76.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.936 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.4 t -62.22 -38.56 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.35 111.085 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -26.93 68.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.39 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 65.41 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -60.76 -26.33 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 74.54 111.116 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.65 -26.94 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 61.4 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.42 160.48 26.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.693 0.758 . . . . 72.32 110.848 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.652 2.235 . . . . 63.13 112.336 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -175.9 -171.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.142 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -128.1 143.19 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 74.04 110.872 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 6.1 p90 -132.39 129.16 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 111.76 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tt -129.08 116.52 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 64.21 110.916 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.15 114.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 65.41 111.136 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.659 HD21 HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -114.07 100.69 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 45.22 110.92 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -36.03 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.874 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.36 159.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.839 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 74.44 110.854 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.438 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.834 0.35 . . . . 61.13 111.118 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.24 -14.46 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.11 110.899 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.433 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 8.5 t80 -112.55 136.13 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 61.51 110.845 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -146.69 143.02 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.3 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.4 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -132.91 118.38 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.939 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.56 143.41 41.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.905 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.526 HG22 ' HB ' ' A' ' 116' ' ' THR . 3.5 m -131.19 137.7 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.32 111.103 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.4 ' HA ' HG23 ' A' ' 117' ' ' THR . 8.8 m -120.18 113.48 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.169 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.11 104.6 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.859 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.73 7.0 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 73.41 110.846 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.34 84.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 53.43 111.105 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.837 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.6 86.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 41.24 110.863 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 136.16 45.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 73.03 110.919 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -159.85 -40.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.801 -0.714 . . . . 74.15 112.499 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.616 HD21 ' HD3' ' A' ' 118' ' ' LYS . 4.6 pp -94.7 159.97 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 71.1 110.911 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.55 ' HB ' HG22 ' A' ' 92' ' ' VAL . 44.4 p -48.28 106.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.21 111.154 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -53.26 -28.76 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.55 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.0 m -58.22 -22.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 72.3 111.115 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -49.65 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.859 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.518 ' HG2' HG21 ' A' ' 81' ' ' VAL . 10.2 tpt180 -66.16 -47.89 72.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 72.12 110.822 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.517 ' CD2' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.34 -34.08 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.828 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -73.58 -33.44 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 61.45 110.927 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.71 -51.67 67.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.3 pt -83.01 -26.58 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.41 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.3 p90 38.5 46.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 74.1 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.49 -37.25 53.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 52.53 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 114' ' ' ALA . 1.3 mp -57.02 174.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 75.41 110.923 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 62.46 84.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.909 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.97 -75.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.875 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.15 -34.23 49.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.89 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -38.19 66.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 70.12 110.889 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -59.17 -32.35 69.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -74.1 -19.49 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.04 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.81 -46.09 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 71.33 111.094 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.15 -6.98 40.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 74.2 112.447 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.87 143.09 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 71.43 110.92 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 174.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 63.33 110.844 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -134.78 162.77 31.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.53 111.062 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 138.1 54.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.01 110.905 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -135.24 137.23 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 62.14 111.16 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.2 mtm -142.35 119.81 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 51.4 110.915 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 81' ' ' VAL . 1.7 p -115.92 125.17 52.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 72.43 111.145 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.7 t -120.33 109.84 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.141 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.616 ' HD3' HD21 ' A' ' 89' ' ' LEU . 11.0 tmtt? -139.83 140.51 36.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 73.13 110.863 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.837 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.581 0.705 . . . . 64.22 111.14 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' ILE . . . . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.867 0.365 . . . . 63.44 111.125 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -31.51 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.8 -0.714 . . . . 44.23 112.469 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 51' ' ' LEU . . . -63.64 -40.58 97.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 74.54 111.119 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -51.51 -31.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 70.25 111.136 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -62.18 -44.07 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 70.22 110.913 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -41.28 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.88 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -43.35 98.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.12 110.931 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 36' ' ' ILE . 59.0 t -56.43 -42.03 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.52 111.112 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.759 ' O ' HD22 ' A' ' 44' ' ' LEU . 14.4 tp10 -56.19 -27.56 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.05 110.883 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.53 -28.5 14.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 72.31 111.101 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -62.3 -23.21 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 74.02 111.1 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.759 HD22 ' O ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -60.91 -17.33 50.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.944 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.662 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -114.79 162.5 23.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 64.04 110.841 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 96.14 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 62.25 112.321 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.645 HG21 HH22 ' A' ' 94' ' ' ARG . 12.8 t -170.77 -171.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 70.21 111.133 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -128.12 146.44 50.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.852 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 12.0 p90 -136.55 119.75 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 61.15 110.889 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -115.12 114.85 25.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.22 110.894 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.794 HD12 HD23 ' A' ' 79' ' ' LEU . 1.7 tt -125.38 122.14 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 64.33 110.905 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.36 116.59 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.33 111.118 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -107.15 123.5 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 62.21 110.873 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.43 28.04 8.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.888 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -47.14 161.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 52.33 110.84 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.0 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 51.35 110.891 179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.863 0.363 . . . . 71.23 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -173.8 -29.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 54.35 110.831 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.592 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 25.5 t80 -107.93 137.71 45.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 60.4 110.84 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 52' ' ' ILE . 2.9 ptm180 -147.88 142.61 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.895 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.794 HD23 HD12 ' A' ' 51' ' ' LEU . 3.5 tm? -129.78 123.39 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 41.42 110.941 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -142.26 134.73 27.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.574 HG21 ' HE ' ' A' ' 94' ' ' ARG . 3.9 m -120.36 140.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 73.44 111.151 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.411 ' HA ' HG23 ' A' ' 117' ' ' THR . 55.9 m -119.82 114.46 22.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 63.31 111.114 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.39 104.9 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 60.55 110.86 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.08 7.37 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.847 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.0 79.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 178.8 89.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.881 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -70.78 132.49 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 71.4 110.92 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.03 -39.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 71.24 112.475 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 mt -96.88 159.71 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.371 . . . . 64.21 110.911 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.494 ' HB ' HG22 ' A' ' 92' ' ' VAL . 34.1 p -48.15 108.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.144 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -54.08 -29.64 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 72.41 110.892 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.494 HG22 ' HB ' ' A' ' 90' ' ' THR . 18.2 m -59.63 -19.14 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 63.41 111.128 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -49.91 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.928 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.645 HH22 HG21 ' A' ' 47' ' ' THR . 19.2 mmm180 -66.79 -47.67 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 52.45 110.872 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.69 -34.97 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -73.79 -33.21 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.921 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.21 -52.01 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.883 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 99' ' ' TYR . 32.1 pt -83.76 -23.91 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 73.34 111.121 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ILE . 30.3 p90 37.16 50.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 60.33 110.945 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.95 -37.28 8.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 71.34 112.483 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.106 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.5 OUTLIER -55.17 160.29 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.348 . . . . 73.32 110.945 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.68 23.46 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 m -100.89 -82.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.887 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.89 -23.06 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 64.34 110.818 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' A' ' 112' ' ' ALA . 1.0 OUTLIER -55.89 -47.48 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 63.45 110.905 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -25.69 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 71.33 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -32.56 73.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 61.3 110.849 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.703 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -74.83 -43.45 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.092 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.83 3.18 30.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 54.45 112.498 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.725 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -121.88 142.93 49.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 65.41 110.907 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 179.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.66 ' HB2' ' HG3' ' A' ' 105' ' ' GLU . . . -150.33 162.57 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 62.51 111.093 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.86 151.29 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.968 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 1.106 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -143.78 139.02 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 51.43 111.07 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.519 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.7 mtp -143.0 118.97 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 53.54 110.819 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' VAL . 1.9 p -113.68 128.24 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 74.43 111.128 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.411 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.8 t -121.29 109.75 15.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 75.31 111.171 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -137.33 141.88 41.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 63.31 110.904 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.608 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 70.11 111.161 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.474 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.861 0.362 . . . . 75.21 111.082 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.34 -40.18 97.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.759 . . . . 72.1 112.517 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.707 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.32 -27.27 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 71.04 111.074 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.71 -33.12 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 63.53 111.111 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 61.15 110.918 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 m -62.5 -47.88 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 75.15 110.894 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -66.76 -30.18 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 73.41 110.891 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.6 t -58.96 -38.46 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.53 111.142 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.05 -27.2 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 75.23 110.873 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.26 -19.57 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 61.2 111.061 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.48 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 72.35 111.084 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 mt -60.77 -18.28 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 71.54 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.17 160.7 42.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.658 0.742 . . . . 63.15 110.819 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 106.37 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.692 2.261 . . . . 72.51 112.367 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -174.21 -177.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 65.41 111.131 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -128.25 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.4 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.421 ' HB2' ' HD3' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.83 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' N ' ' HZ2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -132.52 124.59 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.86 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 35' ' ' ALA . 2.9 tt -126.39 118.4 24.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 70.14 110.883 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.522 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.9 pp -127.12 117.95 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 64.54 111.137 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.42 ' ND2' HD21 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -111.31 123.16 49.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 63.52 110.838 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -52.74 10.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 53.35 110.89 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.26 -168.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.901 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.864 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.811 0.339 . . . . 74.14 111.184 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.69 -38.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.852 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.542 ' HE2' HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -111.08 144.06 40.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.865 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.522 ' HD2' HD11 ' A' ' 52' ' ' ILE . 5.3 ptm180 -141.21 138.05 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.885 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.82 118.33 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 65.04 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.34 140.28 53.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 70.34 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -143.58 125.46 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 61.01 111.114 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.1 m -120.24 114.75 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 71.43 111.159 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.91 104.93 13.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 61.34 110.909 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.59 7.16 5.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.59 80.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 70.12 111.086 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.79 92.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 61.2 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 124.26 24.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.64 -64.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 75.34 112.474 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 118' ' ' LYS . 4.5 pp -76.35 159.14 30.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 65.55 110.9 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.594 ' HB ' HG22 ' A' ' 92' ' ' VAL . 31.2 p -50.5 110.6 0.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.157 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.4 pt? -55.77 -25.9 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.892 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.594 HG22 ' HB ' ' A' ' 90' ' ' THR . 33.9 m -56.73 -28.1 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.02 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -49.93 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 75.03 110.881 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.519 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -65.97 -46.65 77.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.45 110.89 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -62.53 -32.85 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 42.52 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.86 -32.54 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.35 110.915 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 94' ' ' ARG . 29.2 mt -62.04 -52.59 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 50.33 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.4 pt -82.34 -32.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 73.14 111.099 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.5 p90 39.49 41.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.893 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.63 -33.01 63.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.732 . . . . 63.34 112.485 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.542 HD12 ' HE2' ' A' ' 77' ' ' PHE . 21.6 tp -54.41 152.78 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 73.11 110.87 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' ' 101' ' ' LEU . 8.3 tp 67.57 91.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.05 110.907 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -172.08 -72.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 44.04 110.857 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.49 -40.76 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 73.12 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.02 -30.55 36.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.872 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -59.35 -22.33 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.01 110.898 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.451 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -99.8 -39.66 8.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.25 111.083 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.527 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 104.86 19.5 10.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.32 112.517 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.8 OUTLIER -117.51 140.67 49.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 74.54 110.919 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -170.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 71.32 110.894 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.445 ' HB3' HD11 ' A' ' 101' ' ' LEU . . . -162.07 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 52.22 111.146 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.403 HD11 ' HE ' ' A' ' 78' ' ' ARG . 1.1 pp -122.42 149.96 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 72.35 110.927 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -138.29 132.14 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.41 111.08 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.52 120.87 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.888 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.446 ' CB ' HG13 ' A' ' 81' ' ' VAL . 9.7 t -126.81 124.97 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -120.71 110.1 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 55.41 111.185 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.66 ' HD2' HD21 ' A' ' 89' ' ' LEU . 1.5 tmmm? -126.7 143.46 51.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 52.15 111.146 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.853 0.359 . . . . 72.13 111.111 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.14 83.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 75.11 112.452 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 51' ' ' LEU . . . -64.39 -43.04 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 74.14 111.126 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -52.85 -27.24 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.35 111.147 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.4 mmpm? -62.94 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.903 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 m -66.68 -40.79 88.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.862 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HD3' ' HB3' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -61.6 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 63.43 110.878 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.1 t -57.25 -39.99 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.43 111.13 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -57.77 -26.21 61.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.88 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . . . -89.14 -21.7 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 42.42 111.13 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.35 -22.74 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.07 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.38 -20.85 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 54.34 110.931 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.59 160.68 33.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 31.52 110.864 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 64.21 112.349 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -175.88 -179.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.5 111.163 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -128.5 124.93 37.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.52 110.888 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -114.57 126.44 54.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.51 110.9 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -123.51 113.93 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 62.2 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.503 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 7.0 tt -126.24 125.89 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 62.41 110.895 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.617 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -125.09 111.29 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 73.42 111.141 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -114.11 124.09 51.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.881 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -89.07 -15.51 33.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 60.14 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.46 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.887 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.839 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.847 0.356 . . . . 64.42 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -123.38 -30.83 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.874 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.422 ' HZ ' HD13 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -110.57 134.66 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.906 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.617 ' HD2' HD11 ' A' ' 52' ' ' ILE . 3.9 ptm180 -137.94 142.82 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.868 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.486 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -121.19 118.53 29.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.921 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.42 121.14 31.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -121.57 126.44 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.15 111.149 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -118.84 117.92 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 52.33 111.123 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.78 104.56 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 54.23 110.842 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 69.08 6.1 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 73.13 110.857 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.28 81.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 64.53 111.109 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.81 88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 61.41 110.888 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 137.67 39.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.44 110.934 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -160.21 -38.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 53.22 112.432 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.537 HD21 ' HD2' ' A' ' 118' ' ' LYS . 4.5 pp -91.41 160.24 15.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.929 0.395 . . . . 71.03 110.89 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.547 ' HB ' HG22 ' A' ' 92' ' ' VAL . 31.7 p -47.48 109.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 64.25 111.159 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.31 -26.08 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.907 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.547 HG22 ' HB ' ' A' ' 90' ' ' THR . 31.1 m -60.96 -25.31 35.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.11 111.132 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.652 ' HE2' HD11 ' A' ' 97' ' ' LEU . 12.4 tmtt? -67.96 -49.33 62.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.898 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.508 ' HB2' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -65.68 -46.97 77.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.3 110.872 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.404 ' CE1' ' HB1' ' A' ' 114' ' ' ALA . 12.5 m-70 -62.24 -33.44 74.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 64.33 110.902 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.31 -33.14 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.05 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.652 HD11 ' HE2' ' A' ' 93' ' ' LYS . 32.8 mt -61.24 -53.08 61.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 41.24 110.898 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.576 HG22 ' HG3' ' A' ' 41' ' ' GLU . 36.9 pt -82.84 -26.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.52 111.135 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ILE . 36.4 p90 38.43 42.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.908 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.5 -21.49 69.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 53.11 112.489 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 2.9 mm? -65.66 161.7 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 72.23 110.884 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 51.32 46.34 26.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 72.3 110.901 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.5 p -112.75 -80.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.877 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -79.66 -23.15 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 62.12 110.896 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -39.29 61.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.862 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.66 -44.52 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.55 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -59.44 -19.86 50.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.04 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.701 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -96.63 -54.48 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.13 111.151 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.697 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.0 18.24 10.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 52.22 112.464 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.701 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -120.43 140.77 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.348 . . . . 63.22 110.928 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.54 176.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.91 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.8 161.69 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.53 111.073 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.74 151.63 41.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 63.31 110.924 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -135.45 136.57 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 64.43 111.116 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.1 mtp -142.85 118.3 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.887 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 94' ' ' ARG . 5.8 t -127.55 121.84 31.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.0 111.159 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.65 109.57 15.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.3 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HD2' HD21 ' A' ' 89' ' ' LEU . 2.6 tmmm? -134.44 140.49 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 64.15 110.902 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 75.03 111.152 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.681 ' HB2' ' CG ' ' A' ' 53' ' ' ASN . . . . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.824 0.345 . . . . 71.22 111.072 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -38.64 95.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 64.11 112.465 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.681 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -60.62 -25.08 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 75.22 111.102 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.714 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -50.73 -30.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.2 111.116 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -41.14 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 63.44 110.897 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -65.05 -45.36 85.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 50.13 110.878 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -62.96 -33.16 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 73.52 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 36' ' ' ILE . 54.5 t -62.41 -40.08 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 54.15 111.125 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.16 -37.36 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.821 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.45 -19.46 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 63.43 111.088 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 71.52 111.094 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.11 -20.31 57.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 62.31 110.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.589 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -96.84 166.83 13.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 74.41 110.867 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.79 -7.66 21.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.647 2.231 . . . . 63.41 112.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.589 HG22 ' HB2' ' A' ' 45' ' ' SER . 8.7 t -71.37 176.14 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 71.23 111.145 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -128.62 124.69 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 71.13 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.68 ' HE2' HD13 ' A' ' 98' ' ' ILE . 5.9 m-85 -115.46 118.09 32.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.879 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' O ' HD22 ' A' ' 79' ' ' LEU . 9.5 tttt -105.3 117.8 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 72.15 110.885 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.681 HD11 ' CB ' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -124.45 121.52 35.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.899 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.432 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.2 pp -126.35 114.72 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 63.41 111.157 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.681 ' CG ' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -112.34 124.39 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 70.44 110.916 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.8 -78.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.856 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 108' ' ' ALA . 2.2 t 66.74 -178.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.53 110.853 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.879 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 63.02 111.096 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -33.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 63.01 110.867 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.449 ' HZ ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -108.59 133.9 52.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.868 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.432 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -148.79 119.72 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 64.01 110.869 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.67 HD23 ' HB2' ' A' ' 51' ' ' LEU . 3.1 tm? -120.16 117.55 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.893 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 129.27 51.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.862 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.523 HG13 HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER -115.84 127.26 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 63.22 111.146 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -121.2 118.03 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 53.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.29 104.41 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 53.41 110.857 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.602 ' HB2' HG23 ' A' ' 119' ' ' THR . 5.4 m-20 67.64 7.27 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.83 84.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.32 111.107 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' HB3' HG22 ' A' ' 119' ' ' THR . 0.2 OUTLIER -179.98 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.85 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -74.09 140.59 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 75.2 110.937 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.07 -33.89 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 75.41 112.477 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -97.75 160.71 14.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 63.54 110.941 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.451 ' OG1' HG22 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -41.66 108.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.41 111.138 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 91' ' ' LEU . 2.5 pt? -72.4 -33.73 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.45 110.889 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.451 HG22 ' OG1' ' A' ' 90' ' ' THR . 35.2 m -56.91 -23.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 72.45 111.166 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.69 ' HE2' HD11 ' A' ' 97' ' ' LEU . 8.3 tttt -67.44 -49.17 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.937 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 73.12 110.919 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.74 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 64.33 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -67.98 -39.32 83.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 61.32 110.922 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.69 HD11 ' HE2' ' A' ' 93' ' ' LYS . 34.9 mt -51.81 -52.23 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.889 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.68 HD13 ' HE2' ' A' ' 49' ' ' PHE . 24.9 pt -79.88 -33.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.137 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.5 t80 44.0 56.56 4.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.95 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.74 -37.49 3.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 63.14 112.48 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.773 HD22 ' HB2' ' A' ' 114' ' ' ALA . 1.9 tp -51.2 160.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.366 . . . . 73.14 110.921 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.4 HD22 ' OE1' ' A' ' 105' ' ' GLU . 0.5 OUTLIER 64.58 86.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 64.21 110.939 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.07 -74.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 71.12 110.869 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.76 -22.76 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 74.03 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.4 ' OE1' HD22 ' A' ' 102' ' ' LEU . 5.3 mt-10 -52.94 -28.34 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.88 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -33.76 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.924 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -81.01 -34.65 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 74.44 110.913 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.677 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -82.08 -53.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.14 111.088 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.697 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.18 17.25 11.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.751 . . . . 71.44 112.487 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.697 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.2 OUTLIER -120.56 139.54 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 75.44 110.939 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -174.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.837 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.52 157.4 42.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.44 111.048 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.64 146.75 47.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.05 110.904 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.773 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -133.32 137.85 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.21 111.14 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 7.9 mtm -142.34 119.08 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 81' ' ' VAL . 1.3 p -123.34 118.95 28.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 62.24 111.126 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.5 108.8 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 51.35 111.152 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.41 ' HB3' HD11 ' A' ' 89' ' ' LEU . 4.1 tttt -132.21 141.76 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.02 110.906 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.602 HG23 ' HB2' ' A' ' 84' ' ' ASP . 31.4 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.548 0.689 . . . . 75.43 111.142 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.847 0.356 . . . . 54.55 111.086 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.93 51.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 60.32 112.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.791 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.05 -26.53 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 73.02 111.095 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.69 -30.26 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.2 111.16 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -40.47 96.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.92 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 m -65.09 -45.15 86.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.846 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -63.92 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 53.14 110.862 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.0 t -62.19 -41.75 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.1 111.164 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -26.7 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.87 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -89.62 -20.88 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.51 111.138 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.25 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 74.5 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.16 -39.5 86.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.04 110.948 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.15 164.55 51.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 63.4 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 77.13 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.745 2.297 . . . . 72.13 112.372 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -163.65 173.59 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.155 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -128.93 125.03 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.834 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.668 ' HE2' HD13 ' A' ' 98' ' ' ILE . 6.2 m-85 -116.41 119.53 35.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.01 110.885 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.18 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 64.04 110.932 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tt -126.48 121.67 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 52.14 110.931 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.57 115.88 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.1 111.126 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.99 128.32 55.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.24 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.75 -52.93 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.6 160.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.86 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 t60 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 60.24 110.907 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.731 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.87 0.367 . . . . 51.54 111.101 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.51 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.818 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' ILE . 44.8 t80 -108.54 136.35 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 75.52 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.633 ' HD2' HD11 ' A' ' 52' ' ' ILE . 4.0 ptm180 -147.75 138.98 23.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 52.32 110.846 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -121.74 116.16 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 72.43 110.903 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -122.83 149.93 43.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 74.43 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER -144.05 126.44 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 72.22 111.121 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -119.8 118.11 29.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 53.22 111.181 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.83 108.27 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.866 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.42 6.32 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 65.1 110.865 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.56 76.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 64.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 179.72 90.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 73.32 110.917 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.25 139.89 56.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.02 -73.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 51.42 112.498 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.515 HD21 ' HD3' ' A' ' 118' ' ' LYS . 4.5 pp -75.77 159.18 31.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 74.24 110.915 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.8 t -48.21 128.95 14.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 43.05 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.2 pt? -71.87 -25.51 61.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 71.52 110.92 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.693 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.8 m -57.09 -28.79 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.13 111.143 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.66 ' CE ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -68.9 -50.09 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 45.32 110.852 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.415 ' HG2' HG21 ' A' ' 81' ' ' VAL . 3.1 tpt180 -62.51 -47.21 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.33 110.821 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -39.89 89.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 71.2 110.822 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.66 -41.39 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.03 110.923 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.66 HD11 ' CE ' ' A' ' 93' ' ' LYS . 33.9 mt -51.3 -51.41 54.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 72.51 110.938 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.668 HD13 ' HE2' ' A' ' 49' ' ' PHE . 20.4 pt -79.38 -35.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.098 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 t80 43.83 54.13 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.947 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.87 -15.33 29.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 73.04 112.464 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.064 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -76.79 59.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 73.01 110.9 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.74 92.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.885 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.83 -76.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 55.33 110.871 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -77.8 -40.18 41.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 74.15 110.85 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.69 -43.61 90.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 65.53 110.861 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -60.04 -35.01 74.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.877 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.41 -24.46 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.2 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.868 ' HB3' HD12 ' A' ' 110' ' ' LEU . . . -104.44 -26.56 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 55.04 111.051 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.47 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 55.31 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.868 HD12 ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -76.34 147.02 38.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 53.12 110.947 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.07 131.17 41.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.64 163.13 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 62.1 111.09 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.63 151.13 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 64.33 110.971 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 1.064 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -138.4 133.42 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.23 111.088 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.06 120.1 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 63.12 110.864 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.451 HG22 ' CG1' ' A' ' 81' ' ' VAL . 1.2 p -123.71 123.4 40.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.098 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -121.2 109.89 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.101 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.515 ' HD3' HD21 ' A' ' 89' ' ' LEU . 10.5 tmtt? -133.71 140.85 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.94 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.57 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 61.3 111.15 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 53' ' ' ASN . . . . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.793 0.33 . . . . 73.32 111.083 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.51 52.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 74.2 112.537 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.633 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . -60.86 -27.71 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 62.45 111.127 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -52.31 -33.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.179 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 61.42 110.898 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -64.37 -39.77 94.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.892 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.66 ' CE ' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -64.53 -43.13 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.13 110.876 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 36' ' ' ILE . 44.6 t -53.65 -38.58 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 75.33 111.153 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.26 -35.89 70.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.5 -16.87 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 63.23 111.134 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -56.32 -24.04 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 62.35 111.137 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -18.58 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.42 164.63 19.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 73.11 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -6.97 19.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 64.42 112.354 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -66.89 -177.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.149 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -128.69 140.8 51.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.839 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 55.6 p90 -126.86 130.33 49.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.52 110.869 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -127.02 113.94 17.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.905 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 35' ' ' ALA . 2.6 tp -126.97 126.6 43.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.919 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.1 pt -126.47 113.59 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.34 111.138 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -111.65 125.63 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 60.04 110.884 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.37 -37.09 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 70.23 110.835 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.1 -168.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.834 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 63.34 110.864 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.83 0.348 . . . . 74.44 111.162 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -117.4 -15.15 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 72.03 110.862 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.86 135.42 53.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 71.31 110.893 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.573 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -148.73 133.77 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 74.55 110.869 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.773 HD22 ' CE1' ' A' ' 95' ' ' HIS . 1.4 tt -123.84 125.97 45.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.31 110.904 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.551 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.5 tp10 -141.08 124.23 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 62.21 110.914 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.99 134.88 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 71.33 111.108 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.409 ' HA ' HG23 ' A' ' 117' ' ' THR . 94.5 m -120.03 113.64 20.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 71.25 111.15 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.14 105.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 61.14 110.837 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.36 6.0 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 71.12 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.59 79.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.13 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.51 83.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 75.03 110.857 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 126.89 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 63.14 110.948 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.98 -70.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 44.03 112.49 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 90' ' ' THR . 4.5 pp -76.39 161.24 28.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 74.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.741 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.7 t -41.5 126.21 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 75.4 111.105 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 ' H ' ' A' ' 116' ' ' THR . 2.3 pt? -72.2 -32.45 66.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 62.21 110.919 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.741 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.7 m -57.98 -21.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.33 111.128 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.463 ' CB ' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -67.2 -49.8 63.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.858 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.527 ' HA ' HD12 ' A' ' 97' ' ' LEU . 12.4 mmm180 -61.56 -48.1 82.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.865 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.773 ' CE1' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -67.17 -25.32 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 64.01 110.827 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -75.43 -33.16 60.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.886 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 94' ' ' ARG . 10.7 mt -69.63 -50.3 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.853 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.66 HD12 ' CE ' ' A' ' 39' ' ' LYS . 10.4 pt -83.63 -21.74 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 72.21 111.142 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.3 p90 38.25 58.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.943 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.75 -37.22 4.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 55.14 112.498 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.014 HD22 ' HB2' ' A' ' 114' ' ' ALA . 12.2 tp -50.68 145.9 6.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 73.2 110.93 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.6 ' H ' HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER 67.14 129.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 53.43 110.953 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.66 -86.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 62.53 110.851 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -80.6 -20.44 43.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.67 -30.3 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.89 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -40.82 74.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.869 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -62.2 -22.66 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 72.13 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.519 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -95.12 -43.56 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 70.42 111.118 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.6 19.36 11.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 53.31 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.519 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 1.3 mm? -113.06 138.23 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 74.24 110.903 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.37 -167.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.862 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.83 162.0 29.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 54.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.422 HD12 ' SD ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -121.44 136.99 54.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 71.53 110.9 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 1.014 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -120.79 129.81 53.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.042 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.422 ' SD ' HD12 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -143.24 119.71 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.846 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.475 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -126.36 122.47 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 65.33 111.121 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.2 t -121.37 109.39 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.14 111.164 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.72 143.06 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 61.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.451 HG23 ' HB2' ' A' ' 86' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 44.33 111.169 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.85 0.357 . . . . 72.25 111.072 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.16 -38.06 87.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 74.23 112.499 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.99 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 72.21 111.127 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -51.34 -29.48 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 64.15 111.149 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.02 110.926 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 m -66.34 -45.16 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 63.23 110.892 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -32.58 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.32 110.906 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 36' ' ' ILE . 30.6 t -62.06 -41.8 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.23 111.121 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -56.96 -35.75 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.866 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . . . -77.81 -22.33 50.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 73.04 111.065 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.25 -24.33 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 64.41 111.072 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.29 -20.08 57.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.3 161.73 28.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.718 0.771 . . . . 61.13 110.824 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 102.97 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 62.14 112.34 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -175.63 -176.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 71.24 111.154 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -128.34 144.8 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 62.51 110.928 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -132.04 126.94 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.1 110.898 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.15 114.43 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.882 HD12 ' HG ' ' A' ' 79' ' ' LEU . 6.4 tt -126.46 129.37 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.929 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.484 HD11 ' HG2' ' A' ' 78' ' ' ARG . 1.1 pp -127.32 116.07 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 70.13 111.131 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -111.75 105.24 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -29.94 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.838 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.27 -172.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 73.32 110.858 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.9 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 53.25 110.882 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.636 HG21 HD23 ' A' ' 113' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 73.23 111.115 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -121.54 -21.38 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.43 110.839 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 51' ' ' LEU . 10.7 t80 -112.3 133.83 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.876 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG2' HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -148.7 145.79 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.84 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.882 ' HG ' HD12 ' A' ' 51' ' ' LEU . 1.1 tt -123.37 126.13 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 55.21 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -135.91 118.72 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.913 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 m -116.74 135.14 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.35 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -119.22 113.6 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.01 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.06 103.67 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.849 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.542 ' HB2' HG23 ' A' ' 119' ' ' THR . 2.2 m-20 72.07 0.06 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.883 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.57 84.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.158 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -178.75 57.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 70.35 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 142.02 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.11 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.6 -93.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 32.21 112.498 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.84 160.76 20.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 62.11 110.903 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 p 59.3 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.136 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -72.6 -34.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 71.2 110.98 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 m -60.29 -22.08 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 61.02 111.159 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -63.8 -42.0 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 62.24 110.931 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -68.67 -48.49 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -64.69 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.12 110.847 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.92 -39.3 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 74.43 110.904 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.99 -49.59 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.933 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.72 ' CG2' ' HB2' ' A' ' 42' ' ' ALA . 33.9 pt -81.39 -23.75 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.04 111.151 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.2 p90 38.94 40.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.918 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.75 -37.16 57.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.53 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 114' ' ' ALA . 57.3 tp -62.22 154.82 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 52.01 110.966 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.76 54.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 64.53 110.903 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.0 p -139.28 -79.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 63.23 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.1 -23.17 44.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 72.44 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.457 ' HG3' ' HB2' ' A' ' 112' ' ' ALA . 1.3 tm-20 -53.15 -40.64 64.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 74.02 110.918 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.29 35.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 65.01 110.86 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.22 -30.06 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 51.23 110.919 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.59 -46.4 47.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 55.02 111.08 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.3 -6.32 39.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 62.22 112.484 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.744 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.2 145.28 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 73.12 110.89 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.62 163.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.813 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -131.37 161.54 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 61.4 111.107 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.636 HD23 HG21 ' A' ' 75' ' ' THR . 0.5 OUTLIER -128.71 129.12 45.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.0 110.923 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.624 ' HB3' HD22 ' A' ' 101' ' ' LEU . . . -130.92 121.64 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 52.1 111.025 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 11.9 ptp -119.62 119.78 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.853 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -106.44 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.54 111.18 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.86 109.57 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 62.42 111.154 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.24 149.22 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 70.02 110.877 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 84' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.567 0.698 . . . . 74.55 111.179 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB2' ' CB ' ' A' ' 53' ' ' ASN . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.825 0.345 . . . . 51.52 111.088 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.25 -38.77 57.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 41.23 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -61.17 -25.85 67.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 74.23 111.12 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -50.95 -31.02 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 61.3 111.114 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -40.18 97.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.15 110.887 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 p -65.22 -45.36 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 70.3 110.829 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -63.14 -33.42 75.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.54 110.893 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 t -61.71 -41.41 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.158 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -26.72 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 64.4 110.891 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.62 -22.32 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 74.12 111.136 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -60.44 -22.95 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.23 111.088 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.87 -32.16 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.904 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.47 159.89 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.672 0.749 . . . . 72.43 110.839 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 104.7 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 65.24 112.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -176.12 -171.89 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.171 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -127.64 124.37 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 61.04 110.88 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 6.9 p90 -115.47 130.86 57.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 62.12 110.877 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 1.9 tppt? -128.02 113.52 15.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 74.2 110.904 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.815 HD12 HD23 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -128.41 119.36 24.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.878 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.5 117.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.33 111.128 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.538 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -108.79 122.48 47.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -120.74 29.28 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 72.02 110.918 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -49.64 165.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.04 110.87 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.834 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.863 0.364 . . . . 55.11 111.128 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.579 ' HD2' HD23 ' A' ' 110' ' ' LEU . 25.3 p80 -174.96 -30.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 71.33 110.854 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.417 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 18.5 t80 -109.05 133.26 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.87 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.4 142.91 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.854 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.815 HD23 HD12 ' A' ' 51' ' ' LEU . 3.1 tm? -130.02 117.77 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.852 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.438 ' HG3' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -123.77 144.14 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 63.32 110.874 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.46 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -134.99 126.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 74.45 111.122 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -120.92 114.09 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.21 111.15 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.26 103.24 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 53.35 110.866 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.38 4.79 4.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 64.32 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.89 84.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 64.11 111.093 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.413 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER -176.38 94.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.898 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 124.77 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 61.41 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -144.5 -39.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 61.41 112.493 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.42 ' C ' HD12 ' A' ' 89' ' ' LEU . 4.6 pp -103.85 160.22 14.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.937 0.398 . . . . 71.1 110.921 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.573 ' HB ' HG22 ' A' ' 92' ' ' VAL . 49.0 p -46.72 105.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.142 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.608 ' HB2' HG23 ' A' ' 116' ' ' THR . 1.9 pt? -54.86 -26.07 32.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.886 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.573 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.2 m -56.98 -23.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.4 111.118 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -49.23 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 51.14 110.874 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -64.5 -47.46 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.55 110.885 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.553 ' CD2' HG22 ' A' ' 116' ' ' THR . 4.0 m-70 -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.4 110.808 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.55 -33.13 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 71.11 110.941 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 94' ' ' ARG . 32.0 mt -60.47 -51.77 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.91 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.66 -27.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 54.54 111.078 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.8 p90 38.05 42.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.901 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.94 -26.52 37.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 51.4 112.465 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 114' ' ' ALA . 10.9 mp -51.8 151.69 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 35.14 110.938 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tt 63.92 74.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.21 110.949 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -133.31 -80.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 70.04 110.867 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.27 -22.48 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 73.3 110.876 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -52.01 58.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 55.12 110.883 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -57.85 -25.36 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.81 60.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.41 110.945 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.504 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -111.06 -45.52 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 72.54 111.129 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.549 ' O ' HD13 ' A' ' 110' ' ' LEU . . . 106.8 18.8 10.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 65.5 112.493 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.596 ' N ' HD22 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -121.26 134.57 55.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 75.41 110.906 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.3 169.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.54 110.863 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -139.17 161.73 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.51 111.068 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.6 150.13 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 53.45 110.867 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.786 ' HB3' HD21 ' A' ' 101' ' ' LEU . . . -152.25 142.5 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.42 111.083 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.7 mtm -142.74 120.37 11.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.918 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.608 HG23 ' HB2' ' A' ' 91' ' ' LEU . 6.4 t -122.4 114.71 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 61.24 111.135 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.31 110.23 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.145 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -132.81 146.0 51.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.413 HG23 ' HB2' ' A' ' 86' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 74.12 111.118 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.905 0.383 . . . . 73.44 111.08 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.41 50.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.78 -26.7 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.708 0.29 . . . . 71.45 111.13 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.46 -30.68 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 51.02 111.114 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.72 97.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.05 110.92 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 m -65.03 -43.87 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 65.02 110.864 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -62.27 -35.24 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.939 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.5 t -62.32 -37.66 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 64.12 111.167 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.59 -37.31 80.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.01 110.899 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -78.21 -20.71 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.103 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.04 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 62.32 111.111 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.0 -39.27 85.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 60.31 110.928 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.89 164.32 61.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.712 0.768 . . . . 64.45 110.846 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 63.42 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 73.54 112.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -151.4 177.23 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 65.51 111.155 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -129.7 125.43 35.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 62.14 110.858 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.481 ' CE2' HD13 ' A' ' 98' ' ' ILE . 6.4 m-85 -118.04 131.32 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.876 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -127.12 120.75 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 71.13 110.938 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -123.95 127.27 47.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.896 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -125.45 115.55 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.131 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.44 124.78 52.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.922 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.98 -33.89 8.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 75.02 110.873 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.43 -170.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 40.05 110.823 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.35 110.882 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.424 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.2 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.852 0.358 . . . . 72.33 111.12 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.432 ' H ' HD23 ' A' ' 110' ' ' LEU . 63.3 m170 -121.88 -12.94 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.868 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.461 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 7.7 m-85 -112.0 136.55 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.504 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -147.88 118.0 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 74.11 110.874 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.718 ' HB2' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -111.86 117.0 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 62.21 110.906 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -121.69 145.48 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.9 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -143.45 126.95 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 74.31 111.115 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.5 m -119.53 115.15 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.24 111.157 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 104.22 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 53.33 110.885 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.55 3.48 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.842 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.05 77.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 65.53 111.146 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.559 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 179.38 78.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 54.01 110.87 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 142.59 35.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 63.4 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.58 -36.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.757 . . . . 73.31 112.533 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.664 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -115.77 161.76 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 41.52 110.891 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.665 ' OG1' HG22 ' A' ' 92' ' ' VAL . 9.1 t -44.09 127.34 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.143 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.71 -25.94 68.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.914 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.665 HG22 ' OG1' ' A' ' 90' ' ' THR . 4.7 m -57.21 -22.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 75.53 111.161 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -49.75 67.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -40.48 86.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.52 110.842 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -68.76 -33.32 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.895 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -74.11 -33.22 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 54.33 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.07 -51.41 61.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 74.24 110.976 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.481 HD13 ' CE2' ' A' ' 49' ' ' PHE . 9.3 pt -81.87 -20.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.137 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.8 p90 39.2 43.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 71.03 110.966 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.92 -37.6 18.6 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.73 . . . . 23.44 112.478 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 114' ' ' ALA . 7.8 tp -69.79 166.17 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.43 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tp 65.18 80.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 61.15 110.909 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.54 -88.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.852 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.446 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 10.6 t70 -80.67 -19.31 45.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 71.1 110.902 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.13 -40.57 70.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 64.33 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.7 -36.76 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -61.36 -31.22 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 74.42 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.22 -46.28 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 73.42 111.123 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.41 -6.46 39.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 62.44 112.495 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.739 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.62 143.79 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 73.53 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.864 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -140.08 163.74 31.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 72.21 111.093 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.53 125.56 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.914 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.754 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -123.54 141.76 51.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 64.4 111.073 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.8 mtm -142.77 120.42 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 64.33 110.842 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.472 ' CB ' HG13 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -125.68 122.39 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 42.2 111.129 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.47 109.79 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 72.54 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.18 142.68 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.911 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.559 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 62.55 111.135 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.837 0.351 . . . . 63.3 111.061 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.62 -38.56 52.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 52.01 112.51 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.28 -26.35 66.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 61.52 111.088 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.718 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.8 tt -52.27 -32.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 63.41 111.128 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -66.41 -37.77 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.914 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 m -64.47 -47.99 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 3.1 ptmt -63.94 -33.74 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 52.32 110.91 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.1 t -59.11 -40.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 71.35 111.16 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -55.13 -36.01 65.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.3 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.63 -21.48 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 70.33 111.133 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . . . -60.97 -24.87 66.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.51 111.108 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -21.55 62.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.6 161.05 26.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.668 0.747 . . . . 51.31 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 98.15 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 72.14 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -175.67 -171.55 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 75.03 111.138 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -128.45 146.77 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 72.05 110.848 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 5.6 p90 -130.11 134.24 47.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 75.15 110.856 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -127.93 117.28 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.909 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.02 HD12 HD23 ' A' ' 79' ' ' LEU . 1.4 tt -124.8 121.34 34.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 54.23 110.914 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.3 pp -121.95 113.95 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 71.34 111.156 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.27 126.86 55.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 64.53 110.884 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -43.99 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.845 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.32 -168.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.15 110.852 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 70.25 110.843 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.856 0.36 . . . . 71.44 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.23 -16.85 9.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.846 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 105' ' ' GLU . 13.9 m-85 -112.23 135.63 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 62.41 110.896 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -145.91 136.52 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.877 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.02 HD23 HD12 ' A' ' 51' ' ' LEU . 2.6 tm? -129.61 118.32 21.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.911 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -138.35 144.33 40.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 72.4 110.851 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.713 HG22 ' HB ' ' A' ' 116' ' ' THR . 1.0 OUTLIER -124.67 143.62 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 61.31 111.149 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -119.51 112.35 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 61.15 111.162 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.53 102.83 9.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.873 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' HB2' HG23 ' A' ' 119' ' ' THR . 7.8 m-20 65.81 9.57 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.881 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.61 79.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 53.23 111.116 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.69 91.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.43 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.632 ' HE3' HD13 ' A' ' 91' ' ' LEU . 7.7 tttm -76.63 124.37 27.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.856 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.513 ' C ' HD13 ' A' ' 89' ' ' LEU . . . -140.63 -30.07 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 72.32 112.524 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.585 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -105.38 160.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 75.32 110.911 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.646 ' HB ' HG22 ' A' ' 92' ' ' VAL . 68.9 p -49.75 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.125 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.632 HD13 ' HE3' ' A' ' 87' ' ' LYS . 2.6 pt? -51.52 -25.78 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.94 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.646 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.5 m -55.96 -25.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 52.45 111.11 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.719 ' HE3' HD11 ' A' ' 97' ' ' LEU . 1.4 tmtp? -66.36 -51.16 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.888 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.5 -48.6 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.42 110.905 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.649 ' CD2' HD23 ' A' ' 101' ' ' LEU . 5.8 t-80 -59.88 -33.25 71.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.82 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.43 -32.8 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.719 HD11 ' HE3' ' A' ' 93' ' ' LYS . 46.2 mt -61.69 -50.15 73.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 pt -82.01 -33.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.14 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.0 p90 38.76 41.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.61 1.37 85.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 65.42 112.514 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.717 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 4.4 mm? -80.96 56.63 2.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 72.42 110.901 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.27 103.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 64.43 110.893 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.4 t 179.46 -77.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 62.22 110.887 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -78.8 -27.85 44.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 71.4 110.843 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.58 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 0.4 OUTLIER -52.98 -39.95 63.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 55.31 110.84 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -27.99 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 60.25 110.871 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -65.93 -16.83 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.03 110.915 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' A' ' 110' ' ' LEU . . . -116.96 -42.23 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 70.53 111.119 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.53 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.92 19.28 9.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 60.23 112.46 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -107.69 139.29 42.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 53.32 110.96 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.58 ' HB2' ' HG2' ' A' ' 105' ' ' GLU . . . -162.65 154.9 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 73.05 111.087 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.479 HD11 ' HE ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -122.4 151.14 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.931 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.717 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -132.24 126.75 34.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 60.44 111.135 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.4 mtm -142.24 116.95 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.713 ' HB ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -125.92 129.79 50.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 75.51 111.151 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 109.78 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 74.43 111.159 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 140.59 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 73.54 110.95 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.408 HG23 ' HB2' ' A' ' 84' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 64.14 111.087 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.789 0.328 . . . . 53.33 111.122 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.82 54.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 73.54 112.484 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.797 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.92 -25.69 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 73.05 111.106 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -50.77 -31.28 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 63.01 111.125 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -39.92 96.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.89 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -64.51 -45.23 88.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 74.51 110.905 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.3 pttm -64.15 -33.57 76.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.41 110.882 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 t -61.67 -38.16 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 70.54 111.112 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.15 -38.23 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.03 110.849 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.41 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -78.03 -19.4 54.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 35.35 111.105 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -57.32 -38.58 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 71.14 111.104 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.32 -37.21 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 72.33 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -73.3 166.64 41.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 54.43 110.893 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.71 75.02 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 73.25 112.332 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -172.89 174.26 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.23 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -127.87 125.55 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 75.32 110.891 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.53 ' CE2' HD13 ' A' ' 98' ' ' ILE . 11.0 m-85 -115.23 133.5 55.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 53.32 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 130.4 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 62.24 110.893 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 35' ' ' ALA . 5.9 tt -129.37 122.52 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 70.42 110.875 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 78' ' ' ARG . 1.4 pp -125.32 117.07 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.15 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -109.15 122.64 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 42.33 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -33.74 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 64.35 110.902 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.9 -175.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 53.14 110.876 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 54.45 110.868 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.456 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.1 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.795 0.331 . . . . 72.42 111.155 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.423 ' CD2' HD11 ' A' ' 110' ' ' LEU . 4.8 m-70 -121.84 -23.66 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.851 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -112.18 135.24 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HG2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -138.78 146.08 40.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.861 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -126.25 114.79 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.938 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.94 149.22 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -143.62 129.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.05 111.141 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -118.3 120.24 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 54.43 111.123 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.45 104.45 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.869 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.05 8.95 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.21 77.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 70.23 111.118 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 179.82 92.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.05 110.914 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 138.57 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.03 110.907 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.52 -76.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.725 . . . . 61.04 112.454 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.1 159.73 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 73.11 110.94 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.686 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.8 t -47.94 129.84 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 70.12 111.135 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.549 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.2 pt? -71.9 -25.29 61.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.55 110.957 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.686 HG22 ' OG1' ' A' ' 90' ' ' THR . 6.3 m -56.68 -23.93 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 72.51 111.123 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.595 ' HE2' HD11 ' A' ' 97' ' ' LEU . 11.2 tmtt? -68.13 -49.42 61.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 52.42 110.876 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -47.23 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 75.31 110.844 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -34.14 76.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.896 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.87 -33.04 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.595 HD11 ' HE2' ' A' ' 93' ' ' LYS . 22.7 mt -61.14 -52.86 63.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.932 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.53 HD13 ' CE2' ' A' ' 49' ' ' PHE . 27.3 pt -82.96 -22.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.52 111.12 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 38.54 45.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.31 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.45 -8.47 57.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.753 -0.736 . . . . 73.3 112.455 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.117 HD13 ' HB2' ' A' ' 114' ' ' ALA . 7.0 tp -82.67 55.43 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 64.11 110.912 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.0 tp 179.18 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.926 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.2 -75.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 64.31 110.866 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -67.57 -33.88 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 71.23 110.865 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -38.22 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 71.3 110.879 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.46 -26.72 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.42 110.865 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -80.04 -13.92 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.52 110.946 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.82 -41.63 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.02 111.089 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.09 -7.41 40.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 62.33 112.519 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.74 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.22 143.08 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 64.14 110.942 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.84 173.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 70.33 110.867 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.47 163.17 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.44 111.109 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 148.86 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.931 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 1.117 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -141.83 141.05 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.33 111.127 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.5 mtp -143.07 120.08 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.467 ' CB ' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -122.83 124.64 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.129 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.65 109.92 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.93 139.24 46.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.883 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.583 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 61.31 111.192 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' ILE . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.831 0.348 . . . . 72.21 111.077 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -47.05 -34.63 7.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 65.14 112.466 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . -52.95 -30.92 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 74.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.906 HG22 ' O ' ' A' ' 33' ' ' ALA . 19.0 tt -60.43 -32.17 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 64.14 111.144 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -37.2 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 72.31 110.901 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.2 t -64.85 -48.18 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 55.41 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 65.01 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.5 t -60.45 -37.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.12 111.108 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.56 -40.92 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 63.54 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.13 -22.14 66.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 75.34 111.105 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -61.46 -24.5 66.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 75.11 111.129 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.39 -23.59 64.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 64.41 110.861 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.63 161.35 25.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 51.02 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.28 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 64.12 112.337 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.422 ' HG1' ' H ' ' A' ' 48' ' ' HIS . 11.5 t -175.72 -171.31 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 64.33 111.11 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.422 ' H ' ' HG1' ' A' ' 47' ' ' THR . 3.0 t-160 -128.37 145.83 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.853 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 9.9 p90 -133.2 127.53 33.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.875 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -127.34 112.45 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 71.52 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -127.86 127.17 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.937 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -122.74 114.16 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.34 111.138 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.503 ' ND2' ' H ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -110.71 125.63 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 44.43 110.888 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.8 45.32 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.88 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.503 ' H ' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -44.37 136.57 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 64.34 110.903 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.873 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.82 0.343 . . . . 64.42 111.171 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -116.7 -17.16 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 51.44 110.881 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 9.1 m-85 -111.51 135.05 52.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.883 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HD2' HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -149.66 141.0 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 63.51 110.835 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.732 ' HB2' HD23 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -134.83 119.58 18.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.907 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -144.12 146.3 32.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.881 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.713 HG22 ' HB ' ' A' ' 116' ' ' THR . 2.9 m -132.0 141.85 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.44 111.083 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -119.23 113.64 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.52 111.124 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.06 104.18 11.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.808 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.68 8.7 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 73.23 110.868 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.99 80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.14 111.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.409 ' HB3' HG22 ' A' ' 119' ' ' THR . 2.7 t80 -177.53 75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.908 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 130.74 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 70.52 110.902 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.36 -63.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 51.24 112.503 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.25 160.06 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 71.41 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.736 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.4 t -46.53 128.04 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 64.31 111.159 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -71.73 -32.23 67.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.883 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.736 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.9 m -56.99 -21.78 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.102 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -50.01 59.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.939 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.788 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -67.61 -47.65 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 53.45 110.896 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -59.59 -35.32 74.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 62.41 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -34.34 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 71.31 110.923 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 94' ' ' ARG . 10.4 mt -61.32 -49.62 76.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 62.35 110.932 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.8 pt -82.84 -27.11 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 55.53 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.0 48.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 71.1 110.945 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.67 -36.83 5.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 45.33 112.511 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -76.05 65.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 50.52 110.917 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER 174.86 57.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.888 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.43 -75.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.83 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 33' ' ' ALA . 17.9 t0 -62.36 -40.52 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 52.41 110.857 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -30.65 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.2 110.871 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.34 -43.54 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.44 110.841 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -59.24 -20.02 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.53 110.85 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.64 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -93.16 -49.48 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 73.11 111.087 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.616 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 105.37 19.14 10.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 21.05 112.514 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.64 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 0.4 OUTLIER -118.55 139.39 51.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 64.2 110.909 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.15 176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.853 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.619 ' CB ' HD11 ' A' ' 101' ' ' LEU . . . -157.83 158.45 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.34 111.116 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.65 130.39 52.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 70.21 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -117.78 111.75 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 41.1 111.107 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.697 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -138.84 118.79 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.842 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.713 ' HB ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -121.76 135.21 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.12 111.162 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 t -120.85 110.02 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.65 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 53.04 110.919 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 86' ' ' PHE . 1.2 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 74.35 111.15 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB2' ' CG ' ' A' ' 53' ' ' ASN . . . . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.825 0.345 . . . . 62.1 111.105 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.86 -37.0 51.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.703 -0.76 . . . . 53.45 112.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.632 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -60.68 -25.21 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.32 111.08 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.1 tt -50.75 -31.8 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.24 111.111 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -40.04 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 60.11 110.91 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -64.76 -45.6 85.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.51 110.866 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -64.29 -32.33 73.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 62.25 110.909 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.4 t -61.64 -42.22 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.13 111.106 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.66 -27.54 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 -20.71 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 32.43 111.096 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.48 -21.63 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.45 111.077 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.47 14.43 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.71 164.9 33.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.673 0.749 . . . . 70.03 110.867 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 77.46 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 71.3 112.361 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -176.42 176.64 1.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 63.5 111.156 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -129.15 125.49 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.21 110.868 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.721 ' CE2' HG21 ' A' ' 98' ' ' ILE . 8.8 m-85 -114.79 119.42 36.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.871 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' HD22 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -106.94 118.62 37.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.888 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.632 HD11 ' CB ' ' A' ' 35' ' ' ALA . 3.3 tt -125.62 121.14 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.914 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.3 114.44 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 72.2 111.127 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.424 ' CG ' ' HB2' ' A' ' 33' ' ' ALA . 2.4 t-20 -115.35 124.38 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 61.31 110.851 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -65.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.45 110.866 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.32 132.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 70.44 110.882 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.876 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.776 0.322 . . . . 35.0 111.17 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 2.0 p-80 -118.81 -16.95 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.892 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.581 ' HE2' HD12 ' A' ' 101' ' ' LEU . 3.3 t80 -111.31 138.3 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.43 110.884 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.49 132.3 18.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.1 110.873 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 51' ' ' LEU . 3.4 tm? -121.11 115.45 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.13 110.91 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -123.88 128.51 49.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -119.32 128.63 75.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 70.44 111.1 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.3 m -119.03 120.38 37.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.135 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.82 103.68 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 71.41 110.883 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.07 6.63 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 72.12 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 46.35 78.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 65.24 111.108 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.591 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 175.88 84.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 65.52 110.878 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 138.13 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.881 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.458 ' C ' HD13 ' A' ' 89' ' ' LEU . . . -148.54 -31.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 64.13 112.506 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.525 HD22 ' H ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -104.78 159.95 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 72.53 110.93 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.627 ' HB ' HG22 ' A' ' 92' ' ' VAL . 35.0 p -48.67 109.95 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.35 111.122 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.24 -25.33 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.926 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 90' ' ' THR . 35.9 m -55.92 -36.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 52.31 111.107 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -48.5 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.05 110.936 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.526 ' HB3' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -61.36 -36.66 80.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.825 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.99 -36.44 83.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 64.22 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.57 -33.27 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 53.14 110.948 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.77 -50.84 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 53.13 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.721 HG21 ' CE2' ' A' ' 49' ' ' PHE . 48.6 pt -82.85 -26.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.5 111.114 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.01 46.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.09 -31.89 5.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 73.23 112.456 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.581 HD12 ' HE2' ' A' ' 77' ' ' PHE . 15.0 tp -61.1 152.3 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 74.45 110.929 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 101' ' ' LEU . 1.5 tt 68.6 93.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.952 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.7 -67.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 60.3 110.852 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.51 -37.1 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 50.13 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -53.39 -31.46 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.931 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -27.93 58.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 60.1 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -27.92 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.41 110.91 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.38 -31.42 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 34.32 111.12 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.589 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 105.62 18.21 12.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 43.24 112.491 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.5 OUTLIER -119.59 139.57 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 65.33 110.885 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 62.31 110.884 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.56 149.94 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.24 111.116 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.2 130.94 53.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -133.79 145.22 49.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 71.31 111.106 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -142.84 120.49 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.84 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 94' ' ' ARG . 1.2 p -113.91 121.66 44.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 63.34 111.131 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -121.96 108.84 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 55.14 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -130.96 149.37 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 50.22 110.88 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.611 0.72 . . . . 75.23 111.138 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.807 0.337 . . . . 44.02 111.133 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.67 -39.26 54.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 75.32 112.509 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.51 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 72.3 111.083 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -51.9 -30.61 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 42.2 111.17 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.97 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.907 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 m -65.61 -43.51 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.881 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 73.31 110.877 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 36' ' ' ILE . 51.9 t -62.33 -39.02 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 65.54 111.131 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.7 -34.29 75.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.04 -19.92 46.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 71.54 111.16 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.59 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 34.2 111.098 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.82 -28.62 50.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 70.13 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -84.87 168.26 21.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 60.22 110.823 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 -4.92 15.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 53.23 112.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -79.5 177.78 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.141 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -129.7 134.4 47.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.1 110.843 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.44 126.18 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 64.01 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' O ' HD22 ' A' ' 79' ' ' LEU . 15.9 ptpt -122.71 123.83 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 70.25 110.881 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.674 ' HB2' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -125.74 126.55 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.24 110.935 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -122.7 114.36 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 73.35 111.143 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.31 125.32 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.907 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.24 -44.04 4.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 63.2 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t 51.05 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.0 t60 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.51 110.896 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.806 0.336 . . . . 75.21 111.113 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -118.11 -9.76 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.51 110.846 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 5.7 m-85 -112.61 135.35 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.903 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.521 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -148.71 127.59 12.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 73.51 110.882 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.674 HD23 ' HB2' ' A' ' 51' ' ' LEU . 3.3 tm? -120.66 117.21 26.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.914 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.13 133.75 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 75.3 110.868 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.461 HG13 HG22 ' A' ' 116' ' ' THR . 0.3 OUTLIER -126.11 129.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.118 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -119.35 115.13 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 55.2 111.162 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 103.54 9.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 63.44 110.871 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 68.18 5.45 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 63.02 110.878 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.32 78.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 32.1 111.123 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.499 ' HB3' HG23 ' A' ' 119' ' ' THR . 1.1 t80 -176.07 72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.887 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 143.16 28.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.853 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.03 -36.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 71.14 112.499 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.677 HD21 ' CD ' ' A' ' 118' ' ' LYS . 4.6 pp -101.99 160.6 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 44.04 110.93 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 p -45.08 110.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.169 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -53.34 -30.07 37.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.33 -20.5 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 62.33 111.159 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HE2' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.46 -49.03 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.2 110.933 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HG2' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.14 -40.5 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.872 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -69.22 -42.26 75.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.82 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.37 -32.73 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.23 110.874 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.81 -52.62 64.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 71.32 110.955 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.2 pt -84.02 -19.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 71.03 111.169 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.6 p90 38.23 58.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.94 -37.76 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 54.14 112.468 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.812 HD22 ' HB2' ' A' ' 114' ' ' ALA . 4.2 tp -65.33 171.61 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 74.22 110.888 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 tp 61.06 92.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 65.53 110.951 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -75.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -73.79 -29.84 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 42.5 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 0.4 OUTLIER -52.75 -41.8 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.935 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -29.29 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.855 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -73.78 -16.68 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 61.2 110.871 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.498 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -93.14 -42.51 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 73.52 111.104 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.34 -3.72 33.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 64.54 112.48 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.742 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.76 141.49 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 73.44 110.87 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.888 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -148.3 162.8 38.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.04 111.14 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.58 132.59 54.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.9 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.812 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -124.55 139.69 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 63.54 111.061 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.93 119.66 19.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.905 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.461 HG22 HG13 ' A' ' 81' ' ' VAL . 1.1 p -124.84 121.13 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 72.33 111.131 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -120.79 109.74 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 61.02 111.156 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.677 ' CD ' HD21 ' A' ' 89' ' ' LEU . 13.4 tmtt? -139.9 140.58 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.902 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.53 0.681 . . . . 70.13 111.138 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.821 0.344 . . . . 60.25 111.087 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.52 -38.96 52.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 64.42 112.473 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.63 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 64.43 111.14 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -51.36 -31.27 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.102 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.11 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.909 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -63.69 -43.68 95.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.22 110.867 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.884 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.63 -36.07 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 52.1 111.147 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.71 -34.03 69.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.872 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.29 -18.69 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 63.22 111.132 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.36 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 52.24 111.119 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.21 -23.63 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 61.42 110.913 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.416 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -95.93 165.88 15.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.696 0.76 . . . . 74.13 110.889 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.79 76.49 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 64.34 112.35 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 t -155.48 177.38 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 50.43 111.154 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -129.15 124.93 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 55.15 110.866 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.534 ' HE2' HG21 ' A' ' 98' ' ' ILE . 6.7 m-85 -120.41 127.35 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.87 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 115.82 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.902 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -118.65 132.64 56.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.23 110.924 179.9 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.553 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.3 pp -125.28 114.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.42 111.159 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.411 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -110.27 125.3 52.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.858 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.13 46.88 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.33 110.812 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -46.34 138.28 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.2 110.829 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 61.45 110.859 179.962 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.557 HG22 ' C ' ' A' ' 111' ' ' HIS . 37.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.832 0.348 . . . . 74.22 111.156 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.434 ' H ' HD23 ' A' ' 110' ' ' LEU . 2.1 m-70 -122.81 -9.11 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.825 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.448 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 7.1 m-85 -112.0 135.36 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.41 110.904 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 52' ' ' ILE . 1.8 ttp85 -148.84 137.71 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 74.01 110.911 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.748 ' HB2' HD23 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -125.45 117.65 24.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.898 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.17 141.14 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.898 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -144.28 127.01 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 65.41 111.111 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.42 ' HA ' HG23 ' A' ' 117' ' ' THR . 25.1 m -121.25 113.46 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 54.1 111.147 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -123.89 104.49 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 53.12 110.859 -179.861 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 2.7 m-20 77.19 -32.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.12 110.87 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 84' ' ' ASP . . . 70.71 58.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 61.42 111.098 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 119' ' ' THR . 4.2 m-85 -160.36 70.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 73.32 110.901 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 117' ' ' THR . 0.1 OUTLIER -54.91 149.07 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 54.54 110.916 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.1 -36.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 75.53 112.526 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.51 162.08 17.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 75.35 110.855 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.659 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.5 t -39.42 129.55 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 65.22 111.127 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -73.01 -24.34 60.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.909 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.659 HG22 ' OG1' ' A' ' 90' ' ' THR . 6.3 m -55.1 -23.32 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.14 111.13 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -49.12 53.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.913 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.564 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -66.76 -46.97 73.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 72.14 110.855 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.32 -37.37 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.884 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.75 -31.77 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 63.4 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 94' ' ' ARG . 17.4 mt -61.91 -49.73 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.905 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.534 HG21 ' HE2' ' A' ' 49' ' ' PHE . 29.5 pt -82.45 -32.59 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 73.22 111.087 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' ILE . 44.1 p90 38.24 45.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.909 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.89 -36.96 7.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 63.22 112.472 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.778 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 0.9 OUTLIER -76.72 62.37 1.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 74.23 110.936 -179.928 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.52 78.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.15 110.923 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -76.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 33.51 110.865 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -72.17 -32.79 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 72.42 110.856 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.01 -30.5 47.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 61.1 110.885 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -68.59 -37.68 80.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.859 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -59.45 -21.44 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.25 110.906 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.861 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -81.72 -53.38 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.35 111.101 179.831 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.66 6.76 28.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 34.34 112.508 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.861 HD11 ' HB1' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -121.9 144.25 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 74.21 110.948 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.557 ' C ' HG22 ' A' ' 75' ' ' THR . 39.2 m80 -53.53 178.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.883 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.589 ' CB ' HD11 ' A' ' 101' ' ' LEU . . . -153.88 151.06 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 43.31 111.091 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.85 132.62 54.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 71.3 110.891 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.778 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -128.88 136.01 49.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.01 111.121 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.2 mtt -124.0 118.43 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.856 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.431 ' CB ' HG13 ' A' ' 81' ' ' VAL . 5.7 t -123.93 121.56 35.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 51.23 111.155 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.421 ' HA ' ' HG2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -121.85 110.24 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.152 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.67 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.928 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 86' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 74.54 111.131 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 53' ' ' ASN . . . . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.821 0.343 . . . . 73.32 111.118 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -38.39 51.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 72.33 112.507 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.88 -25.5 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 52.31 111.128 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.79 -29.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 60.24 111.152 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.85 99.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.914 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.826 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 15.2 pttt -62.8 -34.09 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 71.22 110.897 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.3 t -62.3 -41.97 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.112 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -58.82 -27.3 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.843 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.13 -20.38 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -29.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 74.4 111.058 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.3 -24.84 46.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 74.02 110.957 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.79 164.08 18.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 61.24 110.893 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 77.1 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 73.13 112.346 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -155.91 177.76 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 62.01 111.149 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -132.44 125.1 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.1 110.831 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' HE2' HG21 ' A' ' 98' ' ' ILE . 6.1 m-85 -117.27 120.86 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.25 110.879 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -111.0 114.3 27.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 71.2 110.902 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.633 ' HB2' HD23 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -127.78 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.914 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.1 pt -127.37 114.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.51 111.139 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 3.5 t-20 -110.91 126.01 54.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 64.55 110.881 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -65.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.878 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.68 160.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.825 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.2 110.849 179.955 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.756 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.2 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.831 0.348 . . . . 52.43 111.127 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.58 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 70.03 110.873 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.415 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 56.0 t80 -108.02 134.13 51.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 63.24 110.871 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' A' ' 52' ' ' ILE . 5.5 ptm180 -151.21 136.89 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 63.13 110.875 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 51' ' ' LEU . 2.3 tm? -123.35 116.06 22.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.14 110.888 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.415 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -120.49 150.56 40.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 65.04 110.877 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -144.1 124.81 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 65.13 111.162 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -119.66 114.88 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.42 111.145 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.12 104.22 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 51.44 110.882 -179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.85 6.26 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 63.12 110.839 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.61 80.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 63.2 111.097 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.659 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.79 91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.844 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -78.75 148.63 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 64.42 110.874 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.74 -30.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 43.33 112.465 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.618 HD21 ' CD ' ' A' ' 118' ' ' LYS . 4.2 pp -93.48 161.26 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 74.21 110.927 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.42 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -42.06 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 73.43 111.095 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.558 ' HB2' HG23 ' A' ' 116' ' ' THR . 2.3 pt? -68.58 -34.86 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.4 110.954 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.7 m -59.96 -29.94 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.102 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.531 ' CE ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.96 -44.04 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 61.24 110.911 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -47.66 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.844 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -59.86 -37.47 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.85 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -73.06 -38.38 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.9 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.531 HD11 ' CE ' ' A' ' 93' ' ' LYS . 12.6 mt -51.93 -50.67 60.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.895 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.561 HG21 ' HE2' ' A' ' 49' ' ' PHE . 24.3 pt -77.97 -34.86 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 51.33 111.132 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 t80 46.05 49.26 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.925 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.9 -13.84 33.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 52.13 112.467 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -69.58 160.2 31.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 64.54 110.872 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.5 tp 65.15 100.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.44 110.916 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.77 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.824 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.4 -39.79 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 64.33 110.891 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.57 -43.39 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.879 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -58.45 -31.82 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.885 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -27.84 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.93 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.871 ' HB3' HD12 ' A' ' 110' ' ' LEU . . . -103.5 -25.14 13.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.13 111.111 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.02 4.14 90.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 53.24 112.493 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.871 HD12 ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -76.3 147.54 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 72.14 110.898 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -73.41 132.03 42.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.881 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -115.51 162.81 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.091 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.36 151.19 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 74.44 110.943 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.67 140.98 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 63.33 111.071 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.5 mtp -143.11 119.5 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 73.24 110.852 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' ' 91' ' ' LEU . 3.5 t -128.33 113.45 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 63.51 111.143 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.33 109.85 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 74.04 111.137 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.618 ' CD ' HD21 ' A' ' 89' ' ' LEU . 2.5 tttm -133.64 141.89 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.924 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.574 0.702 . . . . 64.45 111.149 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 33.2 mtp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.794 0.33 . . . . 65.01 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.81 177.6 5.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 70.01 110.924 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.48 131.94 3.04 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 33.44 112.492 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.19 132.79 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 72.02 110.832 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -164.35 158.34 18.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 75.02 110.88 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -169.34 167.91 9.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 74.3 110.818 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -175.87 147.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 70.1 110.829 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -167.34 135.31 2.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 70.32 110.855 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -167.72 101.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.846 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -152.67 119.23 5.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.03 110.857 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -137.82 -161.9 9.06 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 44.45 112.462 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.74 -179.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 64.21 110.87 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.94 128.08 11.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 75.23 110.853 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 12.4 p -129.89 144.32 38.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 74.23 111.129 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -106.64 134.58 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 70.42 111.065 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 p -115.42 162.29 17.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.866 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 p -114.28 175.42 5.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 54.03 110.87 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.8 pp -121.02 147.75 24.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.02 111.147 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.45 124.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 72.45 111.078 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.87 165.13 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.876 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -117.05 178.4 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 75.13 110.85 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.93 112.01 4.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 70.31 112.468 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.8 m -56.51 104.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 70.5 110.818 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.2 mmt -131.76 167.42 19.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 73.25 110.893 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.45 58.63 0.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 71.5 111.148 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -168.71 102.93 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 65.33 110.901 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -125.66 28.8 6.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.51 110.847 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.2 tm0? -142.73 156.98 45.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 72.25 110.906 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -173.97 82.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 54.52 110.921 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.9 72.39 0.14 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 33.31 112.499 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 138.86 38.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.678 2.252 . . . . 60.12 112.311 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.421 ' O ' ' HB2' ' A' ' 33' ' ' ALA . 14.5 mm -89.66 -70.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 64.44 111.112 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' O ' HG12 ' A' ' 36' ' ' ILE . . . 178.15 -83.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 73.21 111.103 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.56 -36.67 83.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 63.13 112.471 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.675 ' HB1' HD13 ' A' ' 51' ' ' LEU . . . -63.84 -37.43 87.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 74.2 111.113 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -50.5 -31.15 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.127 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -42.52 99.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.847 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.63 ' OG ' HD12 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -65.24 -43.7 90.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 61.31 110.873 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HD3' ' HB2' ' A' ' 51' ' ' LEU . 4.3 mtmm -62.04 -40.64 96.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 70.22 110.938 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.0 t -55.07 -42.68 66.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 54.03 111.098 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -56.71 -27.16 58.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 73.12 110.859 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -99.62 -17.81 17.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.083 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.87 44.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 62.44 111.115 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.02 -20.49 39.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 54.04 110.921 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.59 164.41 15.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.68 0.752 . . . . 73.03 110.861 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -7.69 21.72 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.676 2.251 . . . . 35.45 112.311 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.4 t -60.95 175.83 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 64.32 111.142 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -129.36 145.99 51.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 74.51 110.884 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.647 ' HE2' HD13 ' A' ' 98' ' ' ILE . 13.4 m-85 -132.02 121.3 23.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 70.33 110.881 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.31 114.85 28.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 70.5 110.906 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.675 HD13 ' HB1' ' A' ' 35' ' ' ALA . 5.2 tt -126.42 123.46 37.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 74.51 110.909 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.63 117.03 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 65.14 111.138 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -111.94 122.24 47.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 71.34 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.76 -44.03 5.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.929 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.68 155.43 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 70.24 110.85 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -136.91 100.23 4.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 75.41 110.854 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.53 -74.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.32 110.885 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -159.17 159.77 34.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 62.03 110.861 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.47 -169.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 65.13 111.12 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -81.0 -114.55 0.33 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 54.34 112.521 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -165.75 28.18 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.844 0.354 . . . . 64.41 110.855 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -166.18 75.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 75.04 110.967 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -178.23 -75.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 65.41 111.083 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.25 -68.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.903 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.6 t0 55.38 54.03 9.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 74.33 110.879 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 52.25 61.48 6.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 71.15 112.488 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.21 136.54 52.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 63.01 110.847 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.2 t -130.8 25.13 5.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 63.54 111.141 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.55 99.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.088 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.8 t -147.8 -72.27 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 63.21 110.853 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.66 99.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 70.1 110.863 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -162.78 81.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 62.23 111.133 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 148.09 -25.48 1.43 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 74.23 112.516 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.478 ' C ' HG23 ' A' ' 75' ' ' THR . 15.9 tp10 -77.64 -55.63 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.924 0.392 . . . . 71.33 110.908 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.478 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.1 p 64.31 131.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 74.23 111.137 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.93 -14.44 8.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 72.24 110.83 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.447 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 51.2 t80 -114.39 135.18 54.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.32 110.852 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -147.67 142.88 27.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 75.45 110.887 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.661 HD23 HD12 ' A' ' 51' ' ' LEU . 3.0 tm? -128.86 118.55 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.921 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -126.9 154.72 44.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 64.35 110.892 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.465 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.5 OUTLIER -144.54 133.94 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 70.51 111.099 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.0 m -119.97 114.7 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 61.31 111.154 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.21 103.88 9.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 74.23 110.838 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 68.0 6.32 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.914 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.1 79.46 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.54 111.139 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.7 83.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 74.33 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 138.48 54.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.891 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.63 -54.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 71.52 112.48 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.748 HD22 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -73.94 161.35 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 73.4 110.959 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.503 ' C ' HD22 ' A' ' 89' ' ' LEU . 34.1 p -46.37 100.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.15 111.132 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.536 ' HB2' HG23 ' A' ' 116' ' ' THR . 2.0 pt? -52.62 -31.73 38.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.928 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.451 ' H ' HD23 ' A' ' 91' ' ' LEU . 18.2 m -57.39 -20.88 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 73.13 111.119 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -49.26 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.22 110.882 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.523 ' HB2' HG21 ' A' ' 116' ' ' THR . 26.5 mmm180 -60.78 -47.46 86.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 61.44 110.922 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.411 ' NE2' HG22 ' A' ' 116' ' ' THR . 22.1 m-70 -60.7 -44.55 96.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 65.22 110.88 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -67.11 -32.47 73.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 74.44 110.936 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -58.72 -50.54 73.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.872 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.647 HD13 ' HE2' ' A' ' 49' ' ' PHE . 28.5 pt -83.66 -22.62 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 73.14 111.118 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' ILE . 24.3 p90 37.56 55.26 1.46 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.961 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.78 -37.72 3.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 42.3 112.472 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.917 HD21 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -53.69 158.26 1.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 72.34 110.913 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tp 65.52 37.03 6.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.472 . . . . 73.14 110.914 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.2 p -116.46 -79.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 61.53 110.847 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.34 -25.31 42.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.498 . . . . 54.12 110.86 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.0 -35.71 75.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 73.44 110.851 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -54.3 -34.47 60.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.888 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -71.91 -24.98 61.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 74.24 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.99 -52.99 23.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 53.44 111.097 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.33 -5.23 38.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 51.25 112.478 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.714 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.81 144.99 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 71.31 110.931 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -49.17 168.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 73.24 110.851 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -137.59 161.99 34.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 74.13 111.11 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.25 137.59 53.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.927 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.917 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -137.8 143.47 41.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.113 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.7 mtt -142.86 119.81 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.45 110.835 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.536 HG23 ' HB2' ' A' ' 91' ' ' LEU . 5.6 t -118.48 124.18 46.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 61.21 111.122 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -120.52 117.33 27.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 52.02 111.145 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.87 147.98 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 65.32 110.835 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 84' ' ' ASP . 1.2 p -62.15 159.13 40.9 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.587 0.708 . . . . 73.13 111.114 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.86 13.77 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.709 2.273 . . . . 61.53 112.32 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.66 -18.26 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 31.11 111.081 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.36 112.58 15.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 71.24 110.892 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 64.34 110.938 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.802 0.334 . . . . 74.4 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.72 -173.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 72.15 110.872 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 155.69 -178.89 32.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 52.41 112.461 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -138.59 -171.49 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 65.32 110.88 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -152.25 172.97 15.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 71.11 110.865 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -172.83 156.11 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.887 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -150.33 179.57 8.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 64.01 110.861 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.6 165.53 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 62.25 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -158.78 122.0 3.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 74.55 110.85 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -134.41 177.26 7.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 71.53 110.86 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.52 142.24 4.25 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.785 -0.721 . . . . 73.13 112.517 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.76 153.77 4.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.929 0.395 . . . . 54.45 110.842 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -175.86 116.19 0.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 64.51 110.853 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.18 157.3 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 73.45 111.112 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 tt -162.98 140.1 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 70.4 111.122 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.51 133.55 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 24.35 110.849 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 p -172.01 96.05 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 64.2 110.865 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.03 143.18 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 72.45 111.128 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -178.22 162.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 62.41 111.065 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.3 p -175.71 126.83 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 72.44 110.848 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -174.17 170.51 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 63.04 110.894 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.02 117.62 1.65 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 72.1 112.497 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.21 151.32 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 73.54 110.816 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -142.91 -72.96 0.3 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 61.31 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.06 101.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.106 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.34 177.83 7.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.03 110.867 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -164.86 -71.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 75.35 110.892 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -131.74 127.11 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 63.14 110.911 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -136.25 101.81 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 64.52 110.904 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -166.71 68.71 0.19 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 74.1 112.504 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.532 ' HA ' HD13 ' A' ' 36' ' ' ILE . 53.9 Cg_endo -69.71 137.7 36.24 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 74.13 112.36 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.4 pt -120.2 -32.38 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 72.51 111.156 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -130.3 149.08 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 54.02 111.11 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -54.01 -40.63 66.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.759 . . . . 43.14 112.557 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.28 -26.62 67.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 72.12 111.087 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.725 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.1 tt -51.97 -32.0 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 73.14 111.097 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -66.84 -37.2 84.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 64.2 110.872 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.7 m -65.08 -47.74 76.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 63.15 110.813 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 2.8 ptmt -63.73 -33.67 76.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 43.03 110.946 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 36' ' ' ILE . 41.8 t -59.48 -42.22 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 72.14 111.124 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -26.69 58.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.03 110.877 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.26 -21.6 56.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 71.42 111.172 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -61.17 -23.47 65.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 31.23 111.121 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.46 -19.74 57.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 55.41 110.906 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.66 157.9 36.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.656 0.741 . . . . 73.24 110.868 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 77.74 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 70.15 112.369 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.4 ' HG1' ' H ' ' A' ' 48' ' ' HIS . 12.5 t -152.86 -171.39 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 53.14 111.162 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.4 ' H ' ' HG1' ' A' ' 47' ' ' THR . 3.5 t60 -128.39 146.28 50.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 73.51 110.833 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 8.2 p90 -133.92 133.41 41.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 74.31 110.872 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.56 115.63 19.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 73.13 110.88 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.931 HD12 HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -126.29 120.32 29.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 61.03 110.927 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.505 HD11 ' CD ' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.24 116.91 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 71.43 111.098 179.878 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.83 122.74 47.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 64.52 110.859 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.95 -45.5 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 43.22 110.866 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 50.86 -169.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 42.32 110.9 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -132.44 135.83 46.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.14 110.851 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -120.6 -72.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 63.11 110.965 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -145.5 157.82 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 70.44 110.872 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 57.42 -176.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 62.24 111.093 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.85 -22.46 33.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 74.21 112.471 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -146.42 40.72 1.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 74.31 110.903 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -77.23 92.28 3.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 73.42 110.917 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -172.19 -56.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 72.42 111.085 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? 52.71 76.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 64.22 110.846 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -176.64 53.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 64.24 110.891 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.76 72.1 1.28 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.764 -0.732 . . . . 63.13 112.475 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.1 p -104.36 27.15 8.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 60.53 110.881 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.5 m 72.55 -68.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 74.54 111.097 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.28 98.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 61.12 111.095 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.9 t -143.75 -54.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 61.53 110.85 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 52.89 47.62 24.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 64.44 110.863 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.15 -42.35 4.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.35 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -112.54 37.29 3.72 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 51.41 112.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' C ' HG23 ' A' ' 75' ' ' THR . 1.1 tp10 -132.9 -66.46 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.971 0.415 . . . . 64.44 110.887 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.518 HG21 HD23 ' A' ' 113' ' ' LEU . 1.2 p 61.52 162.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 73.21 111.135 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -124.92 -29.9 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 63.51 110.858 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 51' ' ' LEU . 19.0 t80 -112.42 138.0 49.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 74.2 110.924 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.505 ' CD ' HD11 ' A' ' 52' ' ' ILE . 2.2 ptm180 -147.15 141.93 26.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 72.41 110.898 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.931 HD23 HD12 ' A' ' 51' ' ' LEU . 3.3 tm? -131.33 123.7 28.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.31 110.877 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -140.85 140.52 34.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 50.14 110.842 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.491 HG21 ' HD3' ' A' ' 94' ' ' ARG . 3.5 m -124.58 139.09 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 73.12 111.144 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 85.7 m -120.09 114.48 22.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 74.44 111.141 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -111.93 105.56 14.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 53.23 110.852 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.38 6.9 5.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 62.02 110.846 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.92 77.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 42.24 111.073 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.484 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER 178.54 82.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 73.02 110.861 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.59 141.06 55.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.82 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -158.6 -40.85 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 70.44 112.491 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.96 160.61 14.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.884 0.374 . . . . 71.55 110.901 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.777 ' OG1' HG22 ' A' ' 92' ' ' VAL . 9.0 t -43.61 124.81 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 75.32 111.191 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.9 pt? -71.92 -27.35 62.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.919 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.777 HG22 ' OG1' ' A' ' 90' ' ' THR . 4.0 m -60.53 -18.14 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 73.12 111.131 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.53 -50.26 65.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 65.54 110.893 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.491 ' HD3' HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -68.19 -47.96 66.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 73.42 110.883 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -59.08 -34.97 72.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 74.34 110.855 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.36 -34.51 63.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.938 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 94' ' ' ARG . 26.0 mt -62.92 -50.02 72.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.2 110.905 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.7 pt -81.84 -31.95 11.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 63.12 111.149 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.0 p90 38.82 41.51 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 65.11 110.926 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -83.81 -32.16 24.82 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 64.32 112.508 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -51.23 161.07 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 72.42 110.874 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.1 tp 63.85 91.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 72.12 110.891 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.43 -74.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.812 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -72.29 -40.86 67.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.53 110.851 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -53.48 -31.51 46.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 73.2 110.852 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -39.97 92.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 71.45 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -59.6 -20.38 55.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 73.54 110.936 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.422 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -101.88 -38.9 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 72.12 111.118 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.14 11.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.74 . . . . 65.23 112.514 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 110' ' ' LEU . 1.2 mm? -114.51 140.08 49.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.836 0.35 . . . . 65.25 110.925 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.73 -169.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 73.5 110.884 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -157.44 161.0 38.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 52.41 111.092 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.518 HD23 HG21 ' A' ' 75' ' ' THR . 0.2 OUTLIER -125.76 150.88 47.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 61.11 110.912 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.629 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -136.65 128.26 28.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.52 111.146 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.423 ' HA ' HD12 ' A' ' 91' ' ' LEU . 4.8 mtt -142.36 118.92 10.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 75.31 110.897 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.436 ' HB ' HG22 ' A' ' 81' ' ' VAL . 7.5 p -121.25 126.35 49.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 72.11 111.167 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.62 109.62 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.23 111.138 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.92 146.18 51.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.3 110.859 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.484 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -84.49 133.44 44.46 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.583 0.706 . . . . 75.23 111.127 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 171.52 14.3 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 72.41 112.327 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.27 14.2 29.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 70.13 111.108 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -117.67 125.24 50.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 71.14 110.892 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.951 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.783 0.325 . . . . 71.03 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 60.06 -177.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.269 -0.423 . . . . 75.3 110.896 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 134.23 126.0 2.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 70.25 112.464 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.27 162.32 35.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 63.12 110.867 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -173.98 165.45 4.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 73.21 110.85 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -164.51 154.88 14.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 75.33 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -132.74 173.55 11.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 60.13 110.84 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.21 166.62 30.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 63.45 110.841 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -128.85 157.55 41.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 72.12 110.859 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -173.11 -170.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 74.32 110.863 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -174.06 -173.82 40.45 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 71.23 112.519 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.66 -174.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 72.03 110.878 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.89 -173.92 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.838 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.1 p -163.52 138.57 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 74.21 111.165 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.9 mt -96.14 111.41 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.55 111.095 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -99.28 133.41 43.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.53 110.831 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.4 m -105.44 -179.54 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 73.33 110.855 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 18.6 tt -165.9 142.23 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 51.54 111.119 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -166.1 143.79 5.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 63.32 111.096 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.1 153.89 48.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 64.31 110.848 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -144.49 176.49 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 72.33 110.85 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.42 104.86 1.07 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 63.33 112.508 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 p -147.06 176.18 10.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 45.44 110.868 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 63.29 161.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 73.21 110.861 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -178.18 86.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 73.24 111.089 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.21 153.92 46.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 72.2 110.851 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -153.93 179.93 8.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 73.32 110.851 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -140.46 162.86 34.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 70.45 110.911 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mt -129.75 173.73 10.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 71.15 110.965 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.41 70.41 1.01 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 74.23 112.518 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 177.13 5.93 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.666 2.244 . . . . 73.4 112.294 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 36' ' ' ILE . 62.0 mt -135.27 -70.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 65.41 111.11 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.562 ' HB1' ' HB2' ' A' ' 104' ' ' ASP . . . -125.73 170.33 11.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.31 111.096 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.61 -37.72 50.96 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 74.32 112.491 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.533 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.21 -25.84 65.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 71.23 111.099 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -51.45 -31.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.3 111.087 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -37.73 86.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 53.11 110.9 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.5 m -64.87 -48.1 75.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 71.04 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -63.88 -31.73 73.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 73.43 110.902 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 36' ' ' ILE . 37.4 t -60.66 -42.33 91.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 74.23 111.119 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -57.0 -33.83 67.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.877 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.474 ' HB1' HH12 ' A' ' 94' ' ' ARG . . . -70.72 -19.92 62.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 62.31 111.093 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.52 -29.92 68.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.26 -20.18 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 71.52 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -103.0 164.46 15.48 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.679 0.752 . . . . 75.14 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -14.4 35.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 53.13 112.346 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.686 HG21 ' NH1' ' A' ' 94' ' ' ARG . 12.9 t -59.23 -175.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 65.44 111.109 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -128.7 139.97 51.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 55.03 110.888 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -123.32 133.16 54.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 63.44 110.895 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.6 114.99 18.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 72.3 110.915 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.088 HD12 HD23 ' A' ' 79' ' ' LEU . 4.0 tt -126.67 120.12 28.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 65.04 110.909 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.2 pp -126.77 116.11 43.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 63.12 111.151 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.76 122.02 46.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 63.42 110.908 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 -33.71 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 73.41 110.857 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.2 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 72.33 110.843 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -121.62 93.52 4.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.869 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.2 mtmm -74.02 -62.32 1.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 61.31 110.921 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.83 160.45 43.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.51 110.903 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -108.33 -32.02 7.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 61.24 111.054 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 145.12 -158.32 27.61 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 65.2 112.52 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -126.65 35.92 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 74.25 110.881 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -131.88 100.49 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 63.33 110.937 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.71 97.3 3.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 75.34 111.151 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -43.63 74.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.866 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.6 t70 64.28 23.93 13.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 71.14 110.877 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 171.9 83.63 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 55.35 112.536 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.79 146.15 39.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.96 0.41 . . . . 73.13 110.831 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.0 t -93.9 -32.57 13.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 73.42 111.141 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 56.76 -170.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 61.35 111.091 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.8 t -160.6 -67.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.23 110.833 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 57.97 46.11 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 72.41 110.843 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.68 -24.63 10.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.51 111.063 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -132.54 24.87 3.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 65.34 112.486 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' C ' HG23 ' A' ' 75' ' ' THR . 1.6 tt0 -98.05 -74.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 70.33 110.912 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.462 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.1 p 63.96 144.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 73.42 111.14 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -122.09 -23.88 5.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.811 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -112.91 140.68 47.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.434 . . . . 72.13 110.891 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 52' ' ' ILE . 2.1 ptm180 -147.71 140.18 24.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 51.33 110.855 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.088 HD23 HD12 ' A' ' 51' ' ' LEU . 2.0 tm? -128.72 118.36 22.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 70.44 110.933 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -133.33 138.85 46.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.912 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.6 m -127.34 135.25 63.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.093 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.412 ' HA ' HG23 ' A' ' 117' ' ' THR . 73.3 m -118.61 114.26 22.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.157 -0.474 . . . . 65.23 111.159 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.61 107.83 12.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.894 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.65 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER 68.75 4.08 4.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.862 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.83 81.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.03 111.061 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -176.73 57.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 63.22 110.905 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.52 145.39 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 73.2 110.857 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -166.57 -90.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.75 . . . . 53.54 112.501 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 120' ' ' PRO . 0.6 OUTLIER -117.43 160.29 21.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.875 0.369 . . . . 74.32 110.919 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 2.3 p 58.11 33.29 23.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.12 111.147 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -72.27 -34.4 68.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 64.33 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.6 m -60.25 -24.26 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 63.2 111.147 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 2.1 tttm -60.89 -44.32 97.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 74.23 110.914 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.686 ' NH1' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -66.78 -48.97 67.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.883 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -61.8 -38.11 86.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 53.1 110.888 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -74.21 -38.04 63.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 72.21 110.92 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.425 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.7 mt -51.77 -50.53 60.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.921 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.424 HD12 HD11 ' A' ' 79' ' ' LEU . 10.0 pt -77.94 -40.58 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 64.3 111.107 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 14.7 t80 44.58 58.5 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.885 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.56 -35.22 4.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.801 -0.714 . . . . 72.4 112.499 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 112' ' ' ALA . 35.4 tp -50.69 158.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 52.13 110.931 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 65.38 87.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 70.54 110.924 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.35 -77.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 55.3 110.84 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.562 ' HB2' ' HB1' ' A' ' 33' ' ' ALA . 26.3 t0 -78.6 -32.84 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.34 110.85 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -53.81 -31.27 48.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 62.22 110.875 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -63.09 -42.17 99.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.913 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -61.95 -18.28 59.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.893 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -84.83 -38.62 19.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 53.24 111.079 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.21 -7.06 40.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 52.02 112.437 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.733 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.35 143.09 48.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.825 0.345 . . . . 71.05 110.906 -179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.99 177.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.831 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.596 ' HB3' HD11 ' A' ' 101' ' ' LEU . . . -130.94 161.06 32.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 63.43 111.049 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 75' ' ' THR . 0.7 OUTLIER -122.51 128.94 51.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 65.55 110.921 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.0 140.14 45.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 62.23 111.117 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.11 120.5 12.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.887 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.2 t -107.57 129.18 55.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 63.22 111.143 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.412 HG23 ' HA ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -120.96 107.63 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 52.23 111.17 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.4 144.36 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 72.03 110.852 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -46.0 160.17 0.3 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.577 0.704 . . . . 72.23 111.157 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.455 ' HB3' HD12 ' A' ' 89' ' ' LEU . 53.8 Cg_endo -69.77 176.38 6.86 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.264 . . . . 74.15 112.376 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.58 -18.2 19.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 63.02 111.093 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.71 95.53 5.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 74.15 110.884 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 74.22 110.928 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.749 0.309 . . . . 35.11 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -85.75 160.97 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 71.44 110.88 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.42 -110.25 0.28 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.815 -0.707 . . . . 55.25 112.539 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.5 t 62.35 173.55 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 64.42 110.848 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -175.82 131.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 74.01 110.888 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -77.38 130.0 36.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 70.21 110.863 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -123.5 138.03 54.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.849 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.18 152.05 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 75.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -157.93 -68.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 75.45 110.819 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 m170 58.56 -175.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 74.31 110.832 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.05 -113.0 3.19 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.754 -0.736 . . . . 74.43 112.484 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 p 59.48 -175.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 74.53 110.868 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.79 170.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 74.01 110.861 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.7 p -139.81 149.3 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 61.32 111.088 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.7 tt -134.27 141.14 44.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.03 111.132 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 m -95.33 156.39 16.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.856 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.46 162.59 31.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 53.32 110.877 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.1 pt -103.13 173.59 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 62.25 111.16 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.13 172.81 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 41.13 111.077 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 p -131.68 -58.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 74.3 110.898 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.18 161.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.855 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.72 105.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.748 . . . . 62.33 112.511 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.8 t -155.91 128.6 7.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 64.13 110.879 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.1 ttt -170.81 100.24 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 64.11 110.855 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.74 178.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 62.13 111.107 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -116.59 138.56 51.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 74.32 110.869 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.62 -177.54 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 74.42 110.87 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -157.01 161.86 39.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 71.54 110.912 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 tp -175.1 136.65 0.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 75.32 110.923 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.23 67.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.796 -0.716 . . . . 64.03 112.513 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 143.85 52.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.708 2.272 . . . . 60.15 112.328 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.459 ' H ' HD13 ' A' ' 36' ' ' ILE . 78.7 mt -127.22 -65.85 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 62.23 111.135 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.68 170.94 7.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 71.45 111.15 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -39.68 96.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.732 -0.746 . . . . 70.3 112.495 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.48 -25.23 65.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.785 0.326 . . . . 73.52 111.138 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -50.95 -30.69 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.55 111.125 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 61.1 110.877 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.8 m -65.03 -48.05 75.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 63.12 110.89 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -63.31 -31.34 72.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.493 . . . . 74.24 110.913 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 36' ' ' ILE . 30.8 t -61.65 -40.45 86.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 61.52 111.096 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -57.13 -32.72 66.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 73.51 110.842 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -19.28 59.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 54.31 111.102 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -59.61 -22.08 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 72.45 111.055 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.53 -19.97 42.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 74.31 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.471 ' OG ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -108.12 164.41 14.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.705 0.764 . . . . 64.34 110.866 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -5.97 17.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.696 2.264 . . . . 72.34 112.353 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.471 HG22 ' OG ' ' A' ' 45' ' ' SER . 13.4 t -57.75 -175.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 71.04 111.169 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.407 ' H ' ' HG1' ' A' ' 47' ' ' THR . 4.7 t-80 -128.53 129.2 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 74.41 110.873 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 13.2 p90 -122.39 127.4 49.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.11 110.847 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.88 114.79 19.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 74.31 110.901 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.653 HD12 HD23 ' A' ' 79' ' ' LEU . 1.3 tt -126.79 120.38 29.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 52.03 110.877 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.74 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.08 114.06 36.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 55.54 111.123 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.92 123.12 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 72.15 110.919 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.49 -37.74 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 71.25 110.818 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' A' ' 108' ' ' ALA . 5.8 t 50.69 -168.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 73.5 110.875 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -139.13 106.18 5.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 60.11 110.883 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 mtmp? -128.2 -66.8 0.84 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.896 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -108.83 160.75 15.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 73.54 110.854 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.97 71.25 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 62.12 111.082 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.52 35.63 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 64.54 112.508 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 48.4 t60 61.59 29.03 18.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 74.54 110.902 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 62.84 170.39 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.9 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.01 98.24 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 73.34 111.109 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -83.02 -26.03 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 72.44 110.862 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -167.25 48.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.861 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.36 -32.22 6.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.742 . . . . 72.02 112.504 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.6 t 58.85 73.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 72.32 110.889 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -51.44 -32.51 27.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 75.31 111.2 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 62.91 -170.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 54.51 111.118 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.43 -57.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 64.24 110.837 -179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 63.55 -169.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.483 . . . . 71.4 110.877 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.12 71.4 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 65.34 111.061 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.72 -24.41 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 41.12 112.511 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.482 ' C ' HG23 ' A' ' 75' ' ' THR . 10.6 tt0 -102.97 -43.1 5.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.871 0.367 . . . . 73.23 110.876 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.794 HG21 HD21 ' A' ' 113' ' ' LEU . 0.9 OUTLIER 62.79 153.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.142 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -129.34 -32.67 1.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.866 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -112.87 134.02 54.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.864 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.74 ' HD2' HD11 ' A' ' 52' ' ' ILE . 1.9 ptm180 -149.61 143.24 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 73.23 110.878 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.653 HD23 HD12 ' A' ' 51' ' ' LEU . 3.3 tm? -130.54 118.08 20.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.911 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -126.01 141.45 51.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 73.42 110.825 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -136.25 126.15 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 72.33 111.167 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.0 m -119.83 114.06 21.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.23 111.121 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.35 103.32 10.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 73.33 110.85 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 66.68 7.3 5.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.01 110.84 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.19 77.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 64.54 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.511 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 177.77 86.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 62.24 110.862 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -80.56 143.56 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.873 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.67 -42.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 64.24 112.483 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.758 HD11 ' HB3' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -96.23 161.41 13.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.932 0.396 . . . . 71.32 110.896 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.9 t -41.51 127.28 3.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 71.02 111.135 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.1 pt? -71.75 -24.64 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.901 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.693 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.0 m -55.86 -26.88 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 61.12 111.117 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.466 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 5.8 tmtm? -69.18 -50.76 44.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 73.54 110.857 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.35 -47.95 74.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 73.14 110.852 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.91 -36.63 77.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.87 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -73.59 -37.31 65.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 65.23 110.933 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.466 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 11.7 mt -52.56 -51.71 58.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.914 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 13.1 pt -79.22 -40.29 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 64.03 111.137 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 21.6 t80 41.5 59.05 2.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 63.2 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -101.44 -37.14 3.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 60.15 112.465 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 162.72 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 71.41 110.917 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.81 99.78 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.181 -0.463 . . . . 62.04 110.904 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.85 -80.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 63.33 110.858 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -79.19 -40.58 30.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.893 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -52.87 -40.24 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.44 110.883 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -53.27 -48.09 68.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 61.15 110.877 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -59.17 -19.7 47.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.873 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.77 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -89.21 -58.22 2.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 71.31 111.074 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 106.82 19.65 9.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.741 . . . . 74.42 112.503 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.77 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 0.6 OUTLIER -112.28 140.53 46.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 64.34 110.918 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.9 166.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.34 110.834 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.599 ' C ' HD23 ' A' ' 113' ' ' LEU . . . -141.07 162.69 34.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 43.54 111.101 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.794 HD21 HG21 ' A' ' 75' ' ' THR . 0.8 OUTLIER -121.24 149.62 42.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 74.2 110.944 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -147.21 118.57 7.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 70.24 111.07 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.3 mtp -142.31 118.94 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.21 110.882 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.472 ' CB ' HG13 ' A' ' 81' ' ' VAL . 5.3 t -128.53 116.25 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.149 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.4 t -121.31 108.3 13.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 54.54 111.136 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -124.29 149.95 45.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 74.11 110.872 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.7 OUTLIER -100.6 132.59 22.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.575 0.703 . . . . 74.41 111.144 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.758 ' HB3' HD11 ' A' ' 89' ' ' LEU . 53.3 Cg_endo -69.76 -177.56 1.93 Allowed 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.722 2.282 . . . . 54.41 112.33 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.48 -18.29 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.01 111.095 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.02 119.67 38.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.851 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 74.54 110.871 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.762 0.315 . . . . 74.53 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -143.78 167.71 21.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.24 110.858 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 162.6 126.82 0.84 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.784 -0.722 . . . . 44.12 112.518 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.3 m -137.59 124.96 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 43.43 110.873 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.5 m80 -110.29 135.08 51.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 72.31 110.868 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -148.7 155.87 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.864 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -170.62 97.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 71.34 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -114.2 142.19 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 64.43 110.849 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -110.23 168.99 9.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.847 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -176.69 169.23 2.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 63.13 110.868 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.11 136.65 2.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 73.31 112.511 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.67 142.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 71.01 110.826 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -110.91 161.9 15.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 63.3 110.849 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -151.02 176.32 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.34 111.136 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 tp -171.45 140.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 71.33 111.17 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 p -147.07 175.9 10.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.4 110.876 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.91 -177.55 6.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 52.22 110.866 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 tt -175.52 138.29 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 74.31 111.186 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.74 178.9 9.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 55.11 111.119 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.91 141.18 1.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.14 110.848 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.0 mmm-85 -121.9 167.69 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.859 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -112.63 -151.88 11.33 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.748 -0.739 . . . . 64.11 112.469 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 p -179.11 157.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 75.1 110.875 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.6 ttm -172.76 117.01 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 54.44 110.867 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.09 161.98 40.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 71.54 111.082 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -144.03 -67.9 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 75.44 110.862 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 58.72 71.38 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.835 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.91 103.32 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 75.33 110.946 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.512 HD23 ' HD3' ' A' ' 31' ' ' PRO . 0.1 OUTLIER -178.0 113.17 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 60.32 110.906 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.22 67.39 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 73.12 112.518 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.512 ' HD3' HD23 ' A' ' 29' ' ' LEU . 53.8 Cg_endo -69.78 127.09 14.07 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 75.42 112.331 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.591 ' H ' HD13 ' A' ' 36' ' ' ILE . 9.1 tt -117.4 -27.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.05 111.147 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -137.23 151.7 49.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.114 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.46 -39.0 52.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.752 -0.737 . . . . 62.13 112.486 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.45 67.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.309 . . . . 54.21 111.095 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.591 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -51.78 -32.85 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 65.1 111.131 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.12 -42.01 98.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.877 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.7 m -64.74 -43.56 92.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 61.51 110.836 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -33.94 75.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 70.5 110.868 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.17 -42.24 94.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.45 111.102 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.68 ' O ' HD22 ' A' ' 44' ' ' LEU . 34.0 mm-40 -55.17 -30.91 60.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.92 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.37 -23.88 27.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 63.14 111.06 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.92 -34.29 77.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 70.42 111.075 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.68 HD22 ' O ' ' A' ' 41' ' ' GLU . 0.1 OUTLIER -60.57 -18.22 51.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 73.21 110.877 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.652 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -103.36 161.8 21.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.686 0.755 . . . . 73.44 110.857 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 95.53 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 75.23 112.314 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.7 t -176.21 -167.94 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.13 111.091 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.45 143.77 51.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 71.53 110.841 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -133.43 128.63 35.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.876 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm -127.52 113.21 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.933 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.871 HD12 HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -128.06 119.42 25.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 73.53 110.92 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.33 115.61 42.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 74.1 111.092 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -110.76 123.43 50.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 72.55 110.932 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -117.74 38.81 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.874 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.4 t -46.55 152.92 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 44.11 110.855 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -148.99 161.43 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.844 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -86.98 -74.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.3 110.909 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -157.7 162.67 38.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 73.43 110.879 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.14 -58.47 2.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 63.43 111.103 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.45 -169.17 42.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 71.41 112.507 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 p80 -116.21 55.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 74.22 110.867 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.52 54.97 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.45 110.935 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -178.07 -74.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.31 111.09 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.71 61.37 2.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 71.41 110.84 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -177.21 77.49 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 75.32 110.914 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 68.37 114.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 52.53 112.479 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.8 p -109.41 128.15 54.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 64.23 110.861 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.5 t -105.79 -25.36 12.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 74.13 111.154 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.81 -175.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 64.35 111.072 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.8 t -169.16 49.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 64.32 110.882 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -85.08 73.52 10.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 70.21 110.824 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.08 -36.91 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 32.54 111.063 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -136.04 33.52 2.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.754 -0.736 . . . . 51.41 112.493 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -102.95 -67.67 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 72.24 110.906 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.7 p 51.52 -170.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 53.11 111.128 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.581 ' CD2' HD23 ' A' ' 110' ' ' LEU . 23.5 p80 -175.76 -27.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 73.14 110.863 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.401 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 53.4 t80 -106.59 133.77 50.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.905 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -148.82 143.88 26.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 72.24 110.879 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.871 HD23 HD12 ' A' ' 51' ' ' LEU . 3.4 tm? -131.78 118.76 20.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.928 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.94 142.69 49.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 62.22 110.912 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.52 HG21 ' HG2' ' A' ' 94' ' ' ARG . 3.4 m -128.96 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 61.44 111.188 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.455 ' HA ' HG23 ' A' ' 117' ' ' THR . 20.8 m -120.51 113.51 20.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.04 111.115 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.22 107.74 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 73.23 110.843 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.86 6.47 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 74.22 110.876 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.71 82.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.1 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.409 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 179.86 80.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.24 110.837 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 130.84 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.24 110.876 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.98 -62.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 44.13 112.471 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.7 mt -82.53 160.19 22.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 53.33 110.902 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.734 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.0 t -45.87 127.74 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 73.22 111.16 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -71.81 -32.95 68.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 72.14 110.933 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.734 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.8 m -56.99 -22.18 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.55 111.115 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.409 ' CB ' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -66.87 -49.05 66.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 72.12 110.888 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.52 ' HG2' HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -67.2 -48.6 67.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 72.23 110.876 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.533 ' HD2' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -61.07 -30.04 70.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 74.44 110.795 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.94 -45.28 51.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 54.51 110.924 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.3 mt -52.83 -50.21 64.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 52.44 110.937 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 25.4 pt -82.22 -25.07 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 55.51 111.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 35.6 p90 37.93 43.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.941 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.41 -24.67 62.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.72 -0.752 . . . . 64.51 112.528 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.645 HD21 ' CB ' ' A' ' 114' ' ' ALA . 7.2 mp -58.1 155.71 10.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 73.01 110.894 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.57 105.79 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.467 . . . . 65.42 110.861 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.42 -74.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 42.4 110.852 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -77.32 -41.66 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 71.23 110.892 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.4 ' HA ' ' CE1' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -54.1 -30.58 49.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 70.12 110.917 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -62.97 -27.95 69.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 74.52 110.874 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -79.5 -19.52 49.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 75.33 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.492 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -94.73 -45.19 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 71.03 111.079 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.563 ' O ' HD13 ' A' ' 110' ' ' LEU . . . 105.7 18.56 11.48 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.76 -0.733 . . . . 71.3 112.482 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.581 HD23 ' CD2' ' A' ' 76' ' ' HIS . 0.4 OUTLIER -121.32 137.09 54.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 74.32 110.937 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.18 179.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 72.55 110.918 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -147.56 161.19 41.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 63.45 111.123 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.57 146.91 51.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.11 110.9 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.645 ' CB ' HD21 ' A' ' 101' ' ' LEU . . . -141.58 143.5 33.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 63.14 111.123 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.405 ' HA ' HD12 ' A' ' 91' ' ' LEU . 8.7 mtm -142.47 120.11 11.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.04 110.924 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.45 ' HB ' HG22 ' A' ' 81' ' ' VAL . 10.7 p -116.03 125.48 52.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 55.4 111.124 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.455 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.8 t -120.22 109.81 15.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 73.53 111.098 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.82 144.92 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 61.52 110.899 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.409 HG23 ' HB2' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -56.18 159.32 6.14 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 52.2 111.17 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -173.18 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.664 2.242 . . . . 71.25 112.382 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.33 -18.18 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 52.12 111.127 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -99.76 121.19 40.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.869 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 74.24 110.922 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.792 0.33 . . . . 70.15 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.51 169.44 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 72.41 110.864 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.61 168.68 31.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.679 -0.772 . . . . 53.13 112.454 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.82 163.12 11.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 41.32 110.865 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -171.78 151.24 2.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.9 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -127.7 165.94 19.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 60.14 110.844 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.82 174.66 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.809 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.51 163.28 33.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 71.35 110.855 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -178.84 167.98 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 60.14 110.869 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -165.82 173.28 10.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 75.25 110.868 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 154.87 152.24 6.09 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.71 -0.757 . . . . 51.24 112.525 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.97 149.8 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 74.35 110.847 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -170.47 158.71 6.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 75.1 110.851 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.7 m -148.93 154.17 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.4 111.149 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.479 HD13 ' N ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -170.57 145.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 72.53 111.122 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.479 ' N ' HD13 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -171.23 112.32 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 75.31 110.889 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.06 119.78 6.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.831 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -134.26 148.62 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 72.12 111.125 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -166.63 112.41 0.8 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 43.13 111.108 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -154.81 123.11 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 61.14 110.863 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.7 ptt85 -166.64 143.24 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 73.13 110.85 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 169.99 160.42 18.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 64.24 112.492 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.5 p -177.92 137.71 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 74.13 110.823 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.1 136.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 73.11 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -178.21 136.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 34.44 111.116 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -165.72 176.41 8.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 74.3 110.916 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.34 -170.08 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.909 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.578 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -162.33 158.54 24.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 61.34 110.921 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -179.11 156.75 0.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 72.05 110.919 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -94.76 166.07 26.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.699 -0.762 . . . . 71.43 112.479 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 163.54 37.89 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.65 2.233 . . . . 74.41 112.301 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.579 ' N ' HD13 ' A' ' 36' ' ' ILE . 54.5 mt -143.08 -69.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 64.21 111.13 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -127.97 168.08 15.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 62.32 111.099 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -37.63 50.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 61.24 112.492 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.731 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.27 -26.51 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 72.12 111.112 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.713 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -51.81 -31.55 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 72.22 111.147 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -62.97 -40.69 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.54 110.913 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -64.88 -45.28 86.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.848 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.9 pttt -63.22 -33.69 76.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 74.23 110.936 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.4 t -62.22 -38.56 81.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.35 111.085 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.52 -26.93 68.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.73 -22.39 31.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 65.41 111.116 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -60.76 -26.33 67.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 74.54 111.116 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 64.8 mt -60.65 -26.94 67.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 61.4 110.874 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.42 160.48 26.46 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.693 0.758 . . . . 72.32 110.848 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 99.67 0.76 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.652 2.235 . . . . 63.13 112.336 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.9 t -175.9 -171.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.23 111.142 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -128.1 143.19 51.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 74.04 110.872 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.408 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 6.1 p90 -132.39 129.16 38.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 74.53 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 111.76 14.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.879 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.731 HD11 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tt -129.08 116.52 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 64.21 110.916 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.15 114.37 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 65.41 111.136 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.659 HD21 HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -114.07 100.69 8.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 45.22 110.92 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -36.03 80.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.874 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.36 159.18 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 73.43 110.839 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -119.26 105.78 11.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 74.44 110.854 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -63.55 179.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 71.45 110.876 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -121.65 170.1 10.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.868 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.1 -174.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 73.44 111.076 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.4 -98.15 0.97 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 74.3 112.451 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -138.55 50.95 1.85 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 74.14 110.869 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -136.91 -72.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 75.11 110.902 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 51.96 -169.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 72.12 111.112 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 62.66 92.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.848 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -157.65 -43.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 72.31 110.895 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.53 103.11 0.22 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 64.13 112.428 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.67 152.47 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.964 0.411 . . . . 63.52 110.858 -179.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 t -113.13 -27.06 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 63.54 111.116 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 61.74 99.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.132 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.4 t -165.58 51.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 72.05 110.91 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.42 107.46 15.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 74.24 110.867 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -161.29 25.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 62.02 111.127 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -142.26 19.27 2.47 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.772 -0.727 . . . . 73.45 112.498 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' C ' HG23 ' A' ' 75' ' ' THR . 14.9 tp10 -126.15 -56.96 1.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.893 0.378 . . . . 54.21 110.86 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.463 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.79 129.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 61.13 111.118 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.24 -14.46 9.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.11 110.899 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.433 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 8.5 t80 -112.55 136.13 52.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 61.51 110.845 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -146.69 143.02 28.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.3 110.827 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -132.91 118.38 18.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.939 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -137.56 143.41 41.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.905 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.526 HG22 ' HB ' ' A' ' 116' ' ' THR . 3.5 m -131.19 137.7 55.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 63.32 111.103 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.4 ' HA ' HG23 ' A' ' 117' ' ' THR . 8.8 m -120.18 113.48 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 73.53 111.169 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.11 104.6 12.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 71.04 110.859 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 68.73 7.0 5.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.086 -0.507 . . . . 73.41 110.846 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.34 84.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 53.43 111.105 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.837 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.6 86.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 41.24 110.863 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.66 136.16 45.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 73.03 110.919 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -159.85 -40.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.801 -0.714 . . . . 74.15 112.499 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.668 HD23 ' HA ' ' A' ' 120' ' ' PRO . 4.6 pp -94.7 159.97 14.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.37 . . . . 71.1 110.911 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.55 ' HB ' HG22 ' A' ' 92' ' ' VAL . 44.4 p -48.28 106.81 0.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 75.21 111.154 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -53.26 -28.76 29.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.55 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.0 m -58.22 -22.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 72.3 111.115 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.89 -49.65 64.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.859 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.518 ' HG2' HG21 ' A' ' 81' ' ' VAL . 10.2 tpt180 -66.16 -47.89 72.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 72.12 110.822 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.517 ' CD2' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.34 -34.08 74.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.828 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -73.58 -33.44 64.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 61.45 110.927 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.5 mt -61.71 -51.67 67.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 75.04 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.3 pt -83.01 -26.58 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 72.41 111.136 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 33.3 p90 38.5 46.19 0.93 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 74.1 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -73.49 -37.25 53.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 52.53 112.497 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 114' ' ' ALA . 1.3 mp -57.02 174.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 75.41 110.923 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 62.46 84.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.909 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.97 -75.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 74.43 110.875 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.15 -34.23 49.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 74.01 110.89 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.74 -38.19 66.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 70.12 110.889 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -59.17 -32.35 69.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 75.21 110.9 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 5.0 ttpm? -74.1 -19.49 60.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 75.04 110.877 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.81 -46.09 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 71.33 111.094 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.15 -6.98 40.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 74.2 112.447 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.87 143.09 48.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 71.43 110.92 -179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.14 174.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 63.33 110.844 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.433 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -134.78 162.77 31.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 73.53 111.062 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.23 138.1 54.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 74.01 110.905 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.571 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -135.24 137.23 42.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 62.14 111.16 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 24.2 mtm -142.35 119.81 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 51.4 110.915 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 81' ' ' VAL . 1.7 p -115.92 125.17 52.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 72.43 111.145 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.4 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.7 t -120.33 109.84 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 72.1 111.141 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.616 ' HD3' HD21 ' A' ' 89' ' ' LEU . 11.0 tmtt? -139.83 140.51 36.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 73.13 110.863 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.837 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -64.06 137.44 97.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.581 0.705 . . . . 64.22 111.14 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.668 ' HA ' HD23 ' A' ' 89' ' ' LEU . 53.9 Cg_endo -69.76 177.55 5.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 75.43 112.356 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.79 14.19 22.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 71.11 111.115 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.78 119.13 16.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 61.23 110.916 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 71.54 110.97 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.72 0.295 . . . . 72.04 110.891 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -134.15 131.15 38.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.33 110.873 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.16 -66.04 1.6 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 71.01 112.471 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.64 45.61 10.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 75.22 110.864 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -79.19 179.4 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 63.45 110.861 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -140.11 134.59 31.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 65.42 110.857 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -103.91 171.54 7.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 72.04 110.844 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -173.37 177.27 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 71.41 110.843 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -116.22 134.6 54.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 74.21 110.893 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.17 169.63 18.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.25 110.87 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -141.52 175.43 22.43 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 73.54 112.441 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.76 127.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 50.41 110.875 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -169.58 111.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 55.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.8 m -133.44 131.48 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 61.14 111.147 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 pt -140.41 152.36 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.05 111.079 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.5 t -159.56 136.81 9.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 70.12 110.824 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.78 118.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 74.02 110.905 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.9 pt -151.5 164.01 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.41 111.144 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -177.67 125.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 64.43 111.124 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.38 140.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 71.54 110.864 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.7 ptt85 -176.68 143.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 73.44 110.853 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.96 105.46 0.74 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 53.34 112.485 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.82 142.06 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 60.52 110.841 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.02 101.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 61.23 110.878 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -173.4 110.85 0.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 61.02 111.149 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -158.6 -178.29 7.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 74.42 110.905 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 57.43 -179.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 71.4 110.875 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -177.04 126.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 75.14 110.929 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.87 178.88 5.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.932 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.48 66.85 0.47 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.792 -0.718 . . . . 61.32 112.506 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 178.64 4.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.745 2.297 . . . . 65.21 112.331 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.732 HD11 ' HB2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -96.96 -66.88 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 74.02 111.154 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -178.34 -64.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 63.44 111.125 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.87 -31.51 81.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.8 -0.714 . . . . 44.23 112.469 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB1' ' CD1' ' A' ' 51' ' ' LEU . . . -63.64 -40.58 97.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 74.54 111.119 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.552 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -51.51 -31.49 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 70.25 111.136 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -62.18 -44.07 97.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 70.22 110.913 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.91 -41.28 87.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.88 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -43.35 98.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 70.12 110.931 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 36' ' ' ILE . 59.0 t -56.43 -42.03 73.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.52 111.112 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.759 ' O ' HD22 ' A' ' 44' ' ' LEU . 14.4 tp10 -56.19 -27.56 55.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.05 110.883 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -96.53 -28.5 14.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 72.31 111.101 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -62.3 -23.21 66.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 74.02 111.1 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.759 HD22 ' O ' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -60.91 -17.33 50.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.944 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.662 ' N ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -114.79 162.5 23.44 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.636 0.732 . . . . 64.04 110.841 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 96.14 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 62.25 112.321 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.645 HG21 HH22 ' A' ' 94' ' ' ARG . 12.8 t -170.77 -171.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 70.21 111.133 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -128.12 146.44 50.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.11 110.852 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 12.0 p90 -136.55 119.75 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 61.15 110.889 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -115.12 114.85 25.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 75.22 110.894 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.794 HD12 HD23 ' A' ' 79' ' ' LEU . 1.7 tt -125.38 122.14 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 64.33 110.905 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.644 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.36 116.59 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.33 111.118 179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.732 ' HB2' HD11 ' A' ' 32' ' ' ILE . 6.2 t-20 -107.15 123.5 48.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 62.21 110.873 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.43 28.04 8.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.31 110.888 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 47.1 t -47.14 161.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 52.33 110.84 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -158.94 138.17 11.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 51.35 110.891 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 mtmp? -63.33 172.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 73.45 110.923 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -105.4 136.1 45.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 73.21 110.87 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.7 -65.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.34 111.129 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 159.26 -37.99 0.49 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 65.44 112.491 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.8 t60 62.97 26.31 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 72.45 110.828 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 57.66 -173.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 72.53 110.88 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 60.66 171.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 75.31 111.117 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 72.29 -68.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.884 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 t70 65.04 23.33 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.838 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -175.23 69.64 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.76 -0.733 . . . . 62.43 112.471 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.2 t -179.47 161.01 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.931 0.396 . . . . 72.45 110.872 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.1 t -126.77 -41.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 53.11 111.137 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -178.46 -169.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 52.05 111.065 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -170.28 -57.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.865 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.27 -169.73 0.19 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 54.31 110.831 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.83 106.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 72.33 111.137 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.12 -21.6 44.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 73.23 112.448 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -95.23 -56.56 2.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.391 . . . . 70.13 110.864 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p 51.3 -168.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 71.23 111.128 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -173.8 -29.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 54.35 110.831 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.592 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 25.5 t80 -107.93 137.71 45.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 60.4 110.84 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.644 ' HD2' HD11 ' A' ' 52' ' ' ILE . 2.9 ptm180 -147.88 142.61 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.895 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.794 HD23 HD12 ' A' ' 51' ' ' LEU . 3.5 tm? -129.78 123.39 30.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 41.42 110.941 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -142.26 134.73 27.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 75.42 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.574 HG21 ' HE ' ' A' ' 94' ' ' ARG . 3.9 m -120.36 140.23 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 73.44 111.151 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.411 ' HA ' HG23 ' A' ' 117' ' ' THR . 55.9 m -119.82 114.46 22.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 63.31 111.114 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.39 104.9 12.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 60.55 110.86 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 69.08 7.37 6.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 75.4 110.847 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.0 79.58 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 74.43 111.092 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 178.8 89.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 73.44 110.881 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -70.78 132.49 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 71.4 110.92 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -152.03 -39.3 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.769 -0.729 . . . . 71.24 112.475 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 120' ' ' PRO . 1.5 mt -96.88 159.71 14.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.878 0.371 . . . . 64.21 110.911 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.494 ' HB ' HG22 ' A' ' 92' ' ' VAL . 34.1 p -48.15 108.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.14 111.144 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -54.08 -29.64 45.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 72.41 110.892 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.494 HG22 ' HB ' ' A' ' 90' ' ' THR . 18.2 m -59.63 -19.14 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 63.41 111.128 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.7 -49.91 60.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.928 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.645 HH22 HG21 ' A' ' 47' ' ' THR . 19.2 mmm180 -66.79 -47.67 71.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 52.45 110.872 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -60.69 -34.97 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -73.79 -33.21 64.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 74.23 110.921 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.0 mt -60.21 -52.01 67.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.883 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 99' ' ' TYR . 32.1 pt -83.76 -23.91 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 73.34 111.121 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ILE . 30.3 p90 37.16 50.01 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 60.33 110.945 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.95 -37.28 8.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 71.34 112.483 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.106 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.5 OUTLIER -55.17 160.29 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.348 . . . . 73.32 110.945 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.68 23.46 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.6 m -100.89 -82.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 74.21 110.887 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.608 ' OD2' HG21 ' A' ' 32' ' ' ILE . 10.8 t70 -79.89 -23.06 42.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 64.34 110.818 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' A' ' 112' ' ' ALA . 1.0 OUTLIER -55.89 -47.48 77.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 63.45 110.905 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -25.69 15.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 71.33 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -32.56 73.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 61.3 110.849 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.703 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -74.83 -43.45 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.092 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.83 3.18 30.28 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.739 -0.743 . . . . 54.45 112.498 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.725 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -121.88 142.93 49.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 65.41 110.907 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.9 179.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 73.51 110.875 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.66 ' HB2' ' HG3' ' A' ' 105' ' ' GLU . . . -150.33 162.57 40.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 62.51 111.093 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.86 151.29 41.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.968 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 1.106 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -143.78 139.02 29.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 51.43 111.07 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.519 ' HA ' HD12 ' A' ' 91' ' ' LEU . 2.7 mtp -143.0 118.97 10.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 53.54 110.819 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.564 ' HB ' HG22 ' A' ' 81' ' ' VAL . 1.9 p -113.68 128.24 56.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 74.43 111.128 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.411 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.8 t -121.29 109.75 15.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 75.31 111.171 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -137.33 141.88 41.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 63.31 110.904 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.608 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -78.75 133.41 62.43 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.591 0.71 . . . . 70.11 111.161 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.532 ' HA ' HD12 ' A' ' 89' ' ' LEU . 53.5 Cg_endo -69.78 147.93 63.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 71.34 112.37 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -105.01 -18.22 14.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 72.43 111.122 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -93.79 123.45 37.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 55.05 110.893 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.921 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.785 0.326 . . . . 53.31 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.3 ttm-85 -88.46 112.68 23.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 72.11 110.906 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.13 127.52 5.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 71.52 112.533 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.29 133.54 10.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 65.21 110.883 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -176.68 126.82 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 72.23 110.832 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -179.03 174.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.847 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -179.16 126.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -174.1 153.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 73.44 110.897 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -174.61 152.11 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 71.54 110.915 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -179.16 160.24 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 70.42 110.899 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.92 157.81 7.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.734 -0.745 . . . . 54.53 112.466 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.21 174.98 0.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 72.32 110.828 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -164.55 179.01 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.912 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -151.45 163.35 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 72.33 111.167 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.3 tp -175.34 145.63 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 72.21 111.162 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.5 p -122.6 -173.53 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 64.15 110.857 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.98 -170.29 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.832 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.7 mp -134.05 -50.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 70.22 111.141 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.56 179.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.111 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.7 p -174.4 133.74 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 64.44 110.869 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -147.97 -176.35 5.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 73.24 110.884 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.66 148.74 4.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 52.51 112.454 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.38 -74.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 74.52 110.844 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.17 -176.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 55.23 110.9 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -126.45 -170.6 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 53.0 111.112 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -131.89 -177.17 4.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 62.41 110.869 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -169.92 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 73.54 110.844 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.48 86.56 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 62.14 110.913 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.29 151.8 0.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.11 110.932 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.5 76.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.747 . . . . 72.11 112.464 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 78.94 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.708 2.272 . . . . 45.41 112.338 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.514 HD13 ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -172.79 151.19 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 64.13 111.106 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.514 ' HB2' HD13 ' A' ' 32' ' ' ILE . . . 66.59 120.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.082 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.34 -40.18 97.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.705 -0.759 . . . . 72.1 112.517 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.707 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.32 -27.27 68.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.763 0.316 . . . . 71.04 111.074 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.726 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.71 -33.12 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 63.53 111.111 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 61.15 110.918 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.0 m -62.5 -47.88 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 75.15 110.894 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -66.76 -30.18 70.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 73.41 110.891 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.6 t -58.96 -38.46 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.53 111.142 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.05 -27.2 61.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 75.23 110.873 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.26 -19.57 50.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 61.2 111.061 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -25.48 56.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 72.35 111.084 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 mt -60.77 -18.28 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 71.54 110.879 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.17 160.7 42.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.658 0.742 . . . . 63.15 110.819 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 106.37 1.64 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.692 2.261 . . . . 72.51 112.367 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -174.21 -177.68 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 65.41 111.131 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -128.25 137.95 52.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.4 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.421 ' HB2' ' HD3' ' A' ' 39' ' ' LYS . 0.3 OUTLIER -138.39 131.24 29.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.83 -179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' N ' ' HZ2' ' A' ' 39' ' ' LYS . 0.7 OUTLIER -132.52 124.59 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 74.34 110.86 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 35' ' ' ALA . 2.9 tt -126.39 118.4 24.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 70.14 110.883 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.522 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.9 pp -127.12 117.95 48.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 64.54 111.137 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.42 ' ND2' HD21 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -111.31 123.16 49.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 63.52 110.838 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.29 -52.74 10.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 53.35 110.89 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.26 -168.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 73.33 110.901 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.29 120.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.11 110.864 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -53.31 155.55 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.14 110.873 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -125.29 165.74 17.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 74.52 110.867 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -178.19 -176.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 71.43 111.119 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -128.69 -111.49 1.57 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 62.33 112.509 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 70.63 -69.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 61.25 110.854 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -154.75 88.73 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.41 110.857 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.25 110.87 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.54 111.116 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -172.84 92.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.914 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -154.48 26.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 75.32 110.867 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 53.0 77.9 0.13 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 62.52 112.523 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.0 t -98.62 86.2 3.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 75.23 110.84 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 t -77.43 -25.9 51.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 72.31 111.175 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 60.28 171.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.21 111.095 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 t -137.1 -74.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 51.23 110.841 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.32 -169.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 74.42 110.891 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.7 22.99 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 65.13 111.104 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.73 -28.41 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.74 -0.743 . . . . 63.05 112.531 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -81.48 -48.91 11.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.382 . . . . 75.32 110.901 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p 56.61 177.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.14 111.184 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.69 -38.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 74.42 110.852 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.542 ' HE2' HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -111.08 144.06 40.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.865 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.522 ' HD2' HD11 ' A' ' 52' ' ' ILE . 5.3 ptm180 -141.21 138.05 33.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.24 110.885 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.82 118.33 32.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 65.04 110.91 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -123.34 140.28 53.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 70.34 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -143.58 125.46 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 61.01 111.114 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 88.1 m -120.24 114.75 22.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 71.43 111.159 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.91 104.93 13.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 61.34 110.909 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.59 7.16 5.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.873 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.59 80.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 70.12 111.086 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -179.79 92.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 61.2 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 124.26 24.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -143.64 -64.8 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 75.34 112.474 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.66 HD21 ' HD2' ' A' ' 118' ' ' LYS . 4.5 pp -76.35 159.14 30.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.929 0.395 . . . . 65.55 110.9 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.594 ' HB ' HG22 ' A' ' 92' ' ' VAL . 31.2 p -50.5 110.6 0.43 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 74.41 111.157 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.4 pt? -55.77 -25.9 43.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.892 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.594 HG22 ' HB ' ' A' ' 90' ' ' THR . 33.9 m -56.73 -28.1 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 64.02 111.154 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -49.93 58.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 75.03 110.881 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.519 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -65.97 -46.65 77.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 73.45 110.89 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -62.53 -32.85 73.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 42.52 110.871 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.86 -32.54 61.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.35 110.915 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 94' ' ' ARG . 29.2 mt -62.04 -52.59 63.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 50.33 110.9 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.4 pt -82.34 -32.31 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 73.14 111.099 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.5 p90 39.49 41.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.893 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -71.63 -33.01 63.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.762 -0.732 . . . . 63.34 112.485 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.542 HD12 ' HE2' ' A' ' 77' ' ' PHE . 21.6 tp -54.41 152.78 6.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 73.11 110.87 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' ' 101' ' ' LEU . 8.3 tp 67.57 91.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 73.05 110.907 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.6 m -172.08 -72.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 44.04 110.857 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -77.49 -40.76 41.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 73.12 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -53.02 -30.55 36.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 72.1 110.872 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -64.78 -38.97 92.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.859 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -59.35 -22.33 61.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 74.01 110.898 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.451 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -99.8 -39.66 8.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.25 111.083 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.527 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 104.86 19.5 10.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.32 112.517 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.527 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.8 OUTLIER -117.51 140.67 49.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 74.54 110.919 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.11 -170.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 71.32 110.894 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.445 ' HB3' HD11 ' A' ' 101' ' ' LEU . . . -162.07 161.88 28.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 52.22 111.146 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.403 HD11 ' HE ' ' A' ' 78' ' ' ARG . 1.1 pp -122.42 149.96 43.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 72.35 110.927 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -138.29 132.14 31.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 73.41 111.08 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -142.52 120.87 12.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.4 110.888 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.446 ' CB ' HG13 ' A' ' 81' ' ' VAL . 9.7 t -126.81 124.97 40.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 72.31 111.156 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -120.71 110.1 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 55.41 111.185 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.66 ' HD2' HD21 ' A' ' 89' ' ' LEU . 1.5 tmmm? -126.7 143.46 51.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.75 159.27 1.82 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.586 0.708 . . . . 52.15 111.146 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 136.23 32.43 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.646 2.231 . . . . 74.55 112.356 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.76 -18.13 21.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 73.41 111.071 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -100.46 131.28 46.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 63.44 110.853 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 70.5 110.93 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.806 0.336 . . . . 72.55 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.28 146.34 41.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.863 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -155.61 -131.65 1.45 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 75.03 112.48 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m 60.37 92.15 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.917 0.389 . . . . 65.24 110.863 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -128.79 172.7 11.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 70.2 110.855 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -175.2 163.18 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 62.24 110.822 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.29 -173.18 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.838 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -171.92 142.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 71.04 110.884 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -101.37 124.48 47.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 62.32 110.85 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -107.5 114.15 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.862 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.86 176.71 8.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.732 -0.747 . . . . 35.5 112.469 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 81.0 p -166.76 121.43 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.927 0.394 . . . . 65.42 110.819 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -91.56 161.19 15.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 65.11 110.803 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.5 t -119.35 138.41 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.154 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 tp -115.84 141.13 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 73.51 111.183 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 t -98.11 -174.56 2.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.3 p -159.99 159.43 32.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.867 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.6 tp -127.18 133.03 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 61.43 111.11 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.71 166.41 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 64.1 111.102 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.14 174.5 10.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 41.41 110.879 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -151.78 166.81 30.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 75.53 110.901 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 135.3 78.72 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 70.43 112.514 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.39 101.82 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 62.2 110.901 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 157.16 15.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 63.21 110.904 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.96 124.05 10.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 42.54 111.032 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -122.49 -178.66 3.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 65.12 110.87 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -114.23 31.16 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.886 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -65.27 -30.67 71.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 62.01 110.915 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.67 164.6 12.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 74.22 110.899 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 165.69 -71.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.762 -0.732 . . . . 75.14 112.526 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.64 45.72 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.695 2.264 . . . . 70.32 112.372 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.61 HD11 ' CB ' ' A' ' 53' ' ' ASN . 0.6 OUTLIER -103.22 -66.83 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 71.55 111.094 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 36' ' ' ILE . . . -179.31 -60.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 72.13 111.111 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.91 -41.14 83.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 75.11 112.452 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 51' ' ' LEU . . . -64.39 -43.04 95.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.766 0.317 . . . . 74.14 111.126 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -52.85 -27.24 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 74.35 111.147 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.4 mmpm? -62.94 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.903 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.1 m -66.68 -40.79 88.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 75.33 110.862 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HD3' ' HB3' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -61.6 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 63.43 110.878 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.1 t -57.25 -39.99 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 73.43 111.13 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -57.77 -26.21 61.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 75.54 110.88 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.503 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . . . -89.14 -21.7 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 42.42 111.13 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.35 -22.74 65.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.07 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 mt -60.38 -20.85 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 54.34 110.931 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.59 160.68 33.76 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 31.52 110.864 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 104.54 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.66 2.24 . . . . 64.21 112.349 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -175.88 -179.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 74.5 111.163 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -128.5 124.93 37.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 74.52 110.888 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -114.57 126.44 54.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.51 110.9 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -123.51 113.93 19.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 62.2 110.889 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.503 ' CD1' ' HB1' ' A' ' 35' ' ' ALA . 7.0 tt -126.24 125.89 43.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 62.41 110.895 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.617 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -125.09 111.29 27.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 73.42 111.141 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.61 ' CB ' HD11 ' A' ' 32' ' ' ILE . 17.3 t-20 -114.11 124.09 51.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.881 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -89.07 -15.51 33.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 60.14 110.879 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.46 -169.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.887 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -175.07 86.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.22 110.839 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.94 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 72.34 110.911 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -150.28 162.16 41.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.86 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.38 109.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 64.14 111.1 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.85 55.41 0.73 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 64.42 112.496 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -107.45 -25.39 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 64.25 110.872 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.79 -170.06 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 73.55 110.949 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -143.73 -72.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 73.33 111.121 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.97 158.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 53.12 110.849 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -156.66 32.48 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 54.2 110.851 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -160.69 49.12 0.37 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 62.2 112.479 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 p -112.35 150.52 30.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 54.42 110.914 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.7 t -116.34 -21.37 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.122 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.95 164.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 62.41 111.092 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.75 -57.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 72.51 110.879 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 63.49 -172.04 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.893 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.26 15.86 9.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 71.44 111.088 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -142.82 15.75 2.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.709 -0.758 . . . . 50.42 112.505 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.43 ' C ' HG23 ' A' ' 75' ' ' THR . 14.1 tp10 -149.95 -51.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.962 0.411 . . . . 75.21 110.926 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.43 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 62.86 155.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 64.42 111.116 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -123.38 -30.83 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 73.43 110.874 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.422 ' HZ ' HD13 ' A' ' 101' ' ' LEU . 0.3 OUTLIER -110.57 134.66 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.906 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.617 ' HD2' HD11 ' A' ' 52' ' ' ILE . 3.9 ptm180 -137.94 142.82 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.34 110.868 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.486 ' HG ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -121.19 118.53 29.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 72.12 110.921 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -126.42 121.14 31.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.05 110.877 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.423 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -121.57 126.44 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.15 111.149 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -118.84 117.92 30.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 52.33 111.123 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.78 104.56 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 54.23 110.842 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 69.08 6.1 5.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 73.13 110.857 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.28 81.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 64.53 111.109 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 177.81 88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 61.41 110.888 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.01 137.67 39.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 74.44 110.934 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -160.21 -38.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 53.22 112.432 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.537 HD21 ' HD2' ' A' ' 118' ' ' LYS . 4.5 pp -91.41 160.24 15.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.929 0.395 . . . . 71.03 110.89 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.547 ' HB ' HG22 ' A' ' 92' ' ' VAL . 31.7 p -47.48 109.01 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 64.25 111.159 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -57.31 -26.08 60.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.907 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.547 HG22 ' HB ' ' A' ' 90' ' ' THR . 31.1 m -60.96 -25.31 35.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 75.11 111.132 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.652 ' HE2' HD11 ' A' ' 97' ' ' LEU . 12.4 tmtt? -67.96 -49.33 62.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.898 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.508 ' HB2' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -65.68 -46.97 77.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.3 110.872 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.404 ' CE1' ' HB1' ' A' ' 114' ' ' ALA . 12.5 m-70 -62.24 -33.44 74.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 64.33 110.902 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -74.31 -33.14 63.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.05 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.652 HD11 ' HE2' ' A' ' 93' ' ' LYS . 32.8 mt -61.24 -53.08 61.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 41.24 110.898 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.576 HG22 ' HG3' ' A' ' 41' ' ' GLU . 36.9 pt -82.84 -26.15 8.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 74.52 111.135 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 98' ' ' ILE . 36.4 p90 38.43 42.68 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 74.43 110.908 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -78.5 -21.49 69.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.708 -0.758 . . . . 53.11 112.489 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.603 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 2.9 mm? -65.66 161.7 19.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 72.23 110.884 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 51.32 46.34 26.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 72.3 110.901 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 25.5 p -112.75 -80.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.877 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.568 ' OD2' HG21 ' A' ' 32' ' ' ILE . 17.6 t70 -79.66 -23.15 42.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 62.12 110.896 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -39.29 61.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 73.42 110.862 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -53.66 -44.52 69.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.55 110.911 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -59.44 -19.86 50.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 75.04 110.922 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.701 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -96.63 -54.48 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 54.13 111.151 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.697 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.0 18.24 10.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 52.22 112.464 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.701 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -120.43 140.77 50.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.348 . . . . 63.22 110.928 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.54 176.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.35 110.91 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.8 161.69 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.53 111.073 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.74 151.63 41.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 63.31 110.924 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.603 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -135.45 136.57 41.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 64.43 111.116 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.1 mtp -142.85 118.3 10.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.887 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.508 HG21 ' HB2' ' A' ' 94' ' ' ARG . 5.8 t -127.55 121.84 31.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 71.0 111.159 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.65 109.57 15.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 73.3 111.113 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.537 ' HD2' HD21 ' A' ' 89' ' ' LEU . 2.6 tmmm? -134.44 140.49 46.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 64.15 110.902 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -52.38 159.33 1.63 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.575 0.702 . . . . 75.03 111.152 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 174.46 9.49 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 72.34 112.328 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.33 14.31 27.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.12 111.076 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -122.41 119.79 32.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.848 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.935 -179.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.801 0.334 . . . . 73.1 110.872 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.2 mtm180 -121.61 125.63 47.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.854 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 131.51 134.56 3.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 74.01 112.495 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 89.0 p -162.49 131.9 4.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.933 0.397 . . . . 74.52 110.867 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -168.72 136.95 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.898 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -153.32 141.8 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 73.03 110.86 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.1 119.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 63.41 110.885 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.71 152.74 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 72.41 110.858 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -158.34 147.0 18.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 74.51 110.853 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -166.51 179.52 5.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 74.32 110.837 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.21 161.91 20.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 72.25 112.46 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.92 173.79 9.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 64.44 110.871 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.89 -178.9 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.32 110.91 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.6 t 62.51 103.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 73.15 111.107 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 tt -168.85 147.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 54.32 111.154 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.3 m -163.34 170.94 16.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 61.2 110.887 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.579 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -179.3 119.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.852 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 17' ' ' SER . 35.4 mm -137.7 137.41 45.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 72.11 111.127 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -178.16 152.11 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.32 111.141 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.7 t -174.25 140.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 63.35 110.845 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -144.7 -176.37 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 60.43 110.866 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.38 172.76 43.03 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.756 -0.735 . . . . 72.14 112.487 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.15 172.63 1.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 72.53 110.834 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.93 164.58 2.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 62.41 110.866 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -177.8 157.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.33 111.076 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -169.03 172.15 7.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.87 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -174.12 169.68 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 72.41 110.923 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -88.16 -175.02 4.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 73.34 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.61 -176.8 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 71.25 110.918 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 143.63 72.43 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 64.3 112.499 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 158.41 57.07 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.27 . . . . 52.22 112.33 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.754 ' N ' HD13 ' A' ' 36' ' ' ILE . 57.2 mt -140.75 -57.88 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 54.11 111.145 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.681 ' HB2' ' CG ' ' A' ' 53' ' ' ASN . . . -142.71 -174.74 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 71.22 111.072 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.41 -38.64 95.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 64.11 112.465 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.681 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -60.62 -25.08 66.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 75.22 111.102 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.754 HD13 ' N ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -50.73 -30.63 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.2 111.116 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -41.14 98.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 63.44 110.897 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 m -65.05 -45.36 85.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 50.13 110.878 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -62.96 -33.16 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 73.52 110.886 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 36' ' ' ILE . 54.5 t -62.41 -40.08 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 54.15 111.125 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -59.16 -37.36 77.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 75.24 110.821 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.45 -19.46 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 63.43 111.088 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.13 65.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 71.52 111.094 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.11 -20.31 57.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 62.31 110.911 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.589 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -96.84 166.83 13.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 74.41 110.867 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.6 Cg_endo -69.79 -7.66 21.62 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.647 2.231 . . . . 63.41 112.36 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.589 HG22 ' HB2' ' A' ' 45' ' ' SER . 8.7 t -71.37 176.14 4.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 71.23 111.145 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -128.62 124.69 36.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 71.13 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.68 ' HE2' HD13 ' A' ' 98' ' ' ILE . 5.9 m-85 -115.46 118.09 32.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 64.51 110.879 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' O ' HD22 ' A' ' 79' ' ' LEU . 9.5 tttt -105.3 117.8 34.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.094 -0.503 . . . . 72.15 110.885 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.681 HD11 ' CB ' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -124.45 121.52 35.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 73.41 110.899 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.432 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.2 pp -126.35 114.72 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 63.41 111.157 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.707 ' OD1' HG22 ' A' ' 32' ' ' ILE . 0.0 OUTLIER -112.34 124.39 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 70.44 110.916 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.8 -78.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 74.43 110.856 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.402 ' HA ' ' HB2' ' A' ' 108' ' ' ALA . 2.2 t 66.74 -178.4 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 73.53 110.853 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.4 p-80 -108.97 150.4 27.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.879 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -114.9 -169.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.899 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -99.68 127.05 45.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 61.24 110.85 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.11 171.46 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 41.25 111.085 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -143.14 78.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.721 . . . . 74.13 112.506 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -141.6 12.84 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 61.22 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 65.06 13.95 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.51 110.964 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 50.97 -169.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 63.32 111.08 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -86.37 -74.45 0.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 72.35 110.836 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -179.1 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 54.4 110.863 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.78 110.05 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.723 . . . . 64.5 112.521 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.1 p -108.29 109.08 20.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.945 0.402 . . . . 63.33 110.865 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.7 m -51.67 -49.93 61.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 73.41 111.181 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.8 -169.8 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 73.43 111.093 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.6 t -177.26 -44.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.12 110.912 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 61.84 49.09 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 74.51 110.849 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.23 -25.2 19.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.0 111.138 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -155.38 46.63 0.52 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 71.24 112.479 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -115.94 -43.44 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 65.31 110.898 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.3 p 51.07 -168.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.096 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.16 -33.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.453 . . . . 63.01 110.867 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.449 ' HZ ' ' HB3' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -108.59 133.9 52.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 73.32 110.868 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.432 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -148.79 119.72 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 64.01 110.869 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.67 HD23 ' HB2' ' A' ' 51' ' ' LEU . 3.1 tm? -120.16 117.55 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 73.01 110.893 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.4 129.27 51.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 74.43 110.862 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.523 HG13 HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER -115.84 127.26 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 63.22 111.146 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 99.0 m -121.2 118.03 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 53.0 111.161 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.29 104.41 10.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 53.41 110.857 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.602 ' HB2' HG23 ' A' ' 119' ' ' THR . 5.4 m-20 67.64 7.27 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.14 110.899 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.83 84.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 73.32 111.107 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' HB3' HG22 ' A' ' 119' ' ' THR . 0.2 OUTLIER -179.98 85.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 72.22 110.85 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -74.09 140.59 45.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 75.2 110.937 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -174.07 -33.89 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 75.41 112.477 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -97.75 160.71 14.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 63.54 110.941 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.451 ' OG1' HG22 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -41.66 108.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.41 111.138 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 91' ' ' LEU . 2.5 pt? -72.4 -33.73 67.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.45 110.889 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.451 HG22 ' OG1' ' A' ' 90' ' ' THR . 35.2 m -56.91 -23.22 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 72.45 111.166 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.69 ' HE2' HD11 ' A' ' 97' ' ' LEU . 8.3 tttt -67.44 -49.17 64.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 75.14 110.937 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -59.89 -47.49 85.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 73.12 110.919 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -59.74 -41.18 90.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 64.33 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -67.98 -39.32 83.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 61.32 110.922 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.69 HD11 ' HE2' ' A' ' 93' ' ' LYS . 34.9 mt -51.81 -52.23 50.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 72.14 110.889 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.68 HD13 ' HE2' ' A' ' 49' ' ' PHE . 24.9 pt -79.88 -33.06 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.137 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.5 t80 44.0 56.56 4.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.95 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.74 -37.49 3.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 63.14 112.48 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.773 HD22 ' HB2' ' A' ' 114' ' ' ALA . 1.9 tp -51.2 160.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.366 . . . . 73.14 110.921 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.4 HD22 ' OE1' ' A' ' 105' ' ' GLU . 0.5 OUTLIER 64.58 86.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 64.21 110.939 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.07 -74.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 71.12 110.869 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.76 -22.76 59.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 74.03 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.4 ' OE1' HD22 ' A' ' 102' ' ' LEU . 5.3 mt-10 -52.94 -28.34 23.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.88 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -33.76 73.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 75.15 110.924 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 49.2 tttt -81.01 -34.65 32.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 74.44 110.913 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.677 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -82.08 -53.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 64.14 111.088 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.697 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.18 17.25 11.78 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.722 -0.751 . . . . 71.44 112.487 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.697 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.2 OUTLIER -120.56 139.54 52.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 75.44 110.939 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -174.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.837 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -150.52 157.4 42.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 72.44 111.048 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.64 146.75 47.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 74.05 110.904 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.773 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -133.32 137.85 46.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 73.21 111.14 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 7.9 mtm -142.34 119.08 11.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.879 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 81' ' ' VAL . 1.3 p -123.34 118.95 28.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 62.24 111.126 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.5 108.8 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 51.35 111.152 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.41 ' HB3' HD11 ' A' ' 89' ' ' LEU . 4.1 tttt -132.21 141.76 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.02 110.906 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.602 HG23 ' HB2' ' A' ' 84' ' ' ASP . 31.4 p -52.37 154.49 4.3 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.548 0.689 . . . . 75.43 111.142 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 174.41 9.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.62 2.213 . . . . 41.51 112.384 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.44 -18.29 32.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 62.13 111.08 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.69 100.48 13.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 72.2 110.857 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 74.13 110.91 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.4 mtt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.736 0.303 . . . . 72.34 110.913 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.64 130.27 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 64.44 110.881 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.66 161.7 26.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.693 -0.765 . . . . 71.14 112.446 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.1 p -165.63 -179.31 5.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.962 0.411 . . . . 60.04 110.832 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -163.82 162.1 23.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 70.43 110.855 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -177.05 162.23 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 63.51 110.881 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -168.04 140.24 3.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 65.21 110.899 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.0 p80 -131.16 -179.44 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.831 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -161.27 126.93 3.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 64.54 110.893 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -174.24 148.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 70.34 110.862 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.62 141.51 3.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 62.2 112.496 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.02 138.33 37.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.888 0.375 . . . . 62.54 110.832 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -139.86 100.66 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 75.31 110.835 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.5 m -94.65 -177.41 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 61.43 111.148 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 pt -152.07 166.94 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 52.54 111.131 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.66 178.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 61.23 110.899 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.69 145.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 73.42 110.871 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.7 tt -171.14 147.14 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 73.42 111.135 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.24 173.8 11.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.43 111.101 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 85.6 p -169.2 163.32 10.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 75.31 110.874 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.4 mtm-85 -149.09 172.41 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 73.15 110.873 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.7 135.32 3.23 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.735 . . . . 64.54 112.493 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.11 151.71 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 74.45 110.865 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -172.54 134.27 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 74.52 110.878 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -163.44 145.9 9.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 61.03 111.107 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 -168.79 130.82 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 73.53 110.9 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -149.64 137.45 20.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 70.55 110.893 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.15 106.69 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.3 110.914 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.72 136.98 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.12 110.909 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -159.95 70.72 0.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 61.44 112.497 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.99 13.96 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.738 2.292 . . . . 62.14 112.308 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.646 ' H ' HD13 ' A' ' 36' ' ' ILE . 14.6 tt -116.18 -22.92 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 65.41 111.076 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.4 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -145.33 153.32 41.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 54.55 111.086 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -38.93 51.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 60.32 112.51 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.791 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.05 -26.53 67.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 73.02 111.095 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.69 -30.26 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.2 111.16 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -40.47 96.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 72.23 110.92 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.2 m -65.09 -45.15 86.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.846 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -63.92 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 53.14 110.862 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.0 t -62.19 -41.75 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.1 111.164 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -26.7 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.87 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.461 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -89.62 -20.88 23.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 75.51 111.138 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.96 -33.25 71.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 74.5 111.127 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -60.16 -39.5 86.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 63.04 110.948 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.15 164.55 51.9 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 63.4 110.853 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 77.13 1.08 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.745 2.297 . . . . 72.13 112.372 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.3 t -163.65 173.59 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.155 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -128.93 125.03 36.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 73.02 110.834 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.668 ' HE2' HD13 ' A' ' 98' ' ' ILE . 6.2 m-85 -116.41 119.53 35.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 73.01 110.885 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.18 116.19 31.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 64.04 110.932 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' A' ' 35' ' ' ALA . 1.6 tt -126.48 121.67 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 52.14 110.931 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.633 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -126.57 115.88 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 73.1 111.126 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -109.99 128.32 55.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.24 110.899 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -109.75 -52.93 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.24 110.86 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.6 160.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.3 110.86 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -124.85 91.7 3.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 60.24 110.907 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -67.53 -170.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.12 110.924 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -109.04 142.22 40.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 71.14 110.865 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.99 -170.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 41.5 111.114 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -103.13 40.58 2.38 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 71.12 112.496 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 62.56 38.14 12.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 63.04 110.853 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.24 157.85 23.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.933 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.18 175.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 62.21 111.087 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -175.11 86.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 61.11 110.874 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -178.96 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 63.15 110.866 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -155.7 121.88 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 70.4 112.497 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.4 p -115.31 -177.45 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.029 0.442 . . . . 65.22 110.798 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.9 t -125.9 40.22 3.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.486 . . . . 72.42 111.136 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -100.77 94.81 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 44.3 111.092 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 t -179.62 -34.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 73.53 110.824 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 63.57 -169.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.859 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 63.38 104.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 74.43 111.107 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.24 -26.33 24.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.688 -0.768 . . . . 62.31 112.451 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -86.74 -53.31 5.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.934 0.397 . . . . 63.25 110.869 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.731 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.1 p 60.29 177.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 51.54 111.101 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.51 -32.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.21 110.818 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 52' ' ' ILE . 44.8 t80 -108.54 136.35 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 75.52 110.872 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.633 ' HD2' HD11 ' A' ' 52' ' ' ILE . 4.0 ptm180 -147.75 138.98 23.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 52.32 110.846 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -121.74 116.16 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 72.43 110.903 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -122.83 149.93 43.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.473 . . . . 74.43 110.903 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.451 ' CG1' HG22 ' A' ' 116' ' ' THR . 0.2 OUTLIER -144.05 126.44 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 72.22 111.121 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.3 m -119.8 118.11 29.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 53.22 111.181 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.83 108.27 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.866 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.42 6.32 5.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 65.1 110.865 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.56 76.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 64.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 179.72 90.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 73.32 110.917 -179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 tttm -59.25 139.89 56.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.874 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.02 -73.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 51.42 112.498 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.515 HD21 ' HD3' ' A' ' 118' ' ' LYS . 4.5 pp -75.77 159.18 31.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.879 0.371 . . . . 74.24 110.915 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.693 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.8 t -48.21 128.95 14.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 43.05 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.545 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.2 pt? -71.87 -25.51 61.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 71.52 110.92 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.693 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.8 m -57.09 -28.79 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 73.13 111.143 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.66 ' CE ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -68.9 -50.09 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 45.32 110.852 179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.415 ' HG2' HG21 ' A' ' 81' ' ' VAL . 3.1 tpt180 -62.51 -47.21 84.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.33 110.821 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -60.5 -39.89 89.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 71.2 110.822 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -68.66 -41.39 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 73.03 110.923 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.66 HD11 ' CE ' ' A' ' 93' ' ' LYS . 33.9 mt -51.3 -51.41 54.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 72.51 110.938 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.668 HD13 ' HE2' ' A' ' 49' ' ' PHE . 20.4 pt -79.38 -35.07 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.098 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 41.9 t80 43.83 54.13 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.947 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.87 -15.33 29.09 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 73.04 112.464 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.064 HD13 ' HB2' ' A' ' 114' ' ' ALA . 0.3 OUTLIER -76.79 59.58 1.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.869 0.366 . . . . 73.01 110.9 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.74 92.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.885 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.83 -76.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 55.33 110.871 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -77.8 -40.18 41.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 74.15 110.85 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -58.69 -43.61 90.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 65.53 110.861 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -60.04 -35.01 74.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.877 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.41 -24.46 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 70.2 110.897 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.868 ' HB3' HD12 ' A' ' 110' ' ' LEU . . . -104.44 -26.56 12.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 55.04 111.051 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 81.72 4.47 90.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 55.31 112.489 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.868 HD12 ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -76.34 147.02 38.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.828 0.347 . . . . 53.12 110.947 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -73.07 131.17 41.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 65.44 110.866 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -115.64 163.13 16.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 62.1 111.09 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.63 151.13 41.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 64.33 110.971 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 1.064 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -138.4 133.42 32.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.23 111.088 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -143.06 120.1 11.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 63.12 110.864 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.451 HG22 ' CG1' ' A' ' 81' ' ' VAL . 1.2 p -123.71 123.4 40.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.22 111.098 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -121.2 109.89 15.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.164 -0.471 . . . . 72.44 111.101 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.515 ' HD3' HD21 ' A' ' 89' ' ' LEU . 10.5 tmtt? -133.71 140.85 47.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 75.1 110.94 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.57 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -57.14 158.97 8.68 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 61.3 111.15 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.535 ' HD2' HG22 ' A' ' 119' ' ' THR . 54.0 Cg_endo -69.77 143.61 51.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.669 2.246 . . . . 73.31 112.373 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.95 -18.09 15.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 62.14 111.096 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -132.69 121.43 23.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 72.04 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 71.12 110.928 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.709 0.29 . . . . 75.45 110.801 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -72.31 144.8 48.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 72.43 110.882 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.95 173.21 13.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 64.33 112.474 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.38 -60.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 63.14 110.849 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 59.01 74.45 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.51 110.812 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -115.01 149.31 37.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 62.13 110.857 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.3 p80 -161.25 151.21 17.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.861 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -145.9 160.46 41.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 62.21 110.871 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 170.44 16.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.833 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -152.11 176.27 11.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.896 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -131.15 -155.53 8.21 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 51.52 112.436 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.36 173.44 16.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 73.23 110.835 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.81 147.74 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 73.3 110.873 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.8 p -119.1 143.0 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.23 111.142 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -115.49 130.34 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 45.31 111.162 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.37 -62.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 71.35 110.893 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.4 p -129.39 123.15 30.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.511 . . . . 72.12 110.844 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.0 pt -104.99 32.3 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.31 111.176 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.19 139.62 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 22.14 111.108 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -170.98 -73.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 70.52 110.892 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -169.66 -53.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 74.41 110.876 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.88 117.75 0.69 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 70.13 112.509 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.79 175.16 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 63.3 110.846 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -119.83 175.24 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 73.35 110.873 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.22 168.18 15.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 63.22 111.11 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -120.95 143.79 48.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.906 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -136.02 106.03 6.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.901 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.87 111.96 4.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 62.12 110.92 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -171.54 121.41 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.942 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 164.75 71.49 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.769 -0.729 . . . . 54.35 112.5 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 130.97 20.2 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.672 2.248 . . . . 63.44 112.33 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.546 ' H ' HD13 ' A' ' 36' ' ' ILE . 10.2 pt -129.59 -38.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 75.3 111.093 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 53' ' ' ASN . . . -118.66 154.31 32.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 73.32 111.083 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.43 -39.51 52.56 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 74.2 112.537 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.633 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . -60.86 -27.71 68.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.726 0.298 . . . . 62.45 111.127 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.546 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.4 OUTLIER -52.31 -33.14 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 74.34 111.179 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -43.69 98.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 61.42 110.898 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -64.37 -39.77 94.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 71.33 110.892 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.66 ' CE ' HD12 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -64.53 -43.13 95.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 75.13 110.876 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 36' ' ' ILE . 44.6 t -53.65 -38.58 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 75.33 111.153 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -57.26 -35.89 70.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 73.22 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.5 -16.87 33.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 63.23 111.134 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -56.32 -24.04 40.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 62.35 111.137 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.35 -18.58 51.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.893 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.42 164.63 19.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 73.11 110.862 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -6.97 19.9 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 64.42 112.354 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -66.89 -177.64 0.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 71.01 111.149 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -128.69 140.8 51.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 74.53 110.839 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.451 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 55.6 p90 -126.86 130.33 49.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 75.52 110.869 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -127.02 113.94 17.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 74.43 110.905 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 35' ' ' ALA . 2.6 tp -126.97 126.6 43.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 71.03 110.919 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.573 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.1 pt -126.47 113.59 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 71.34 111.138 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -111.65 125.63 54.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 60.04 110.884 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -110.37 -37.09 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 70.23 110.835 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.1 -168.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.834 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -146.07 98.4 3.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 63.34 110.864 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -79.87 -71.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 71.23 110.922 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -137.1 164.76 27.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 70.33 110.85 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.93 -42.82 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 32.21 111.143 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.34 -129.26 5.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 54.1 112.494 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -118.51 65.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.739 0.304 . . . . 74.21 110.85 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -136.86 92.09 2.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.92 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -51.73 107.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.42 111.103 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -89.13 -55.11 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 74.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t0 63.7 25.35 14.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.43 110.88 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 158.86 78.48 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.769 . . . . 62.1 112.455 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 p -109.48 132.55 54.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.987 0.423 . . . . 71.05 110.85 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -111.72 -23.22 10.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 70.32 111.133 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.9 -177.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 23.04 111.083 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -160.7 -56.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.895 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.27 -169.7 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 73.54 110.916 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.71 73.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 64.23 111.113 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 159.84 -29.11 0.37 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.738 -0.744 . . . . 53.41 112.472 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' C ' HG23 ' A' ' 75' ' ' THR . 17.9 tt0 -96.62 -52.9 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.953 0.406 . . . . 74.41 110.864 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.457 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.62 132.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 74.44 111.162 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -117.4 -15.15 10.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.422 . . . . 72.03 110.862 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -112.86 135.42 53.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 71.31 110.893 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.573 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -148.73 133.77 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 74.55 110.869 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.773 HD22 ' CE1' ' A' ' 95' ' ' HIS . 1.4 tt -123.84 125.97 45.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.31 110.904 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.551 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.5 tp10 -141.08 124.23 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 62.21 110.914 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 m -122.99 134.88 64.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 71.33 111.108 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.409 ' HA ' HG23 ' A' ' 117' ' ' THR . 94.5 m -120.03 113.64 20.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.13 -0.487 . . . . 71.25 111.15 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.14 105.34 11.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 61.14 110.837 -179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.36 6.0 5.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 71.12 110.905 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.59 79.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 72.13 111.069 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.51 83.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 75.03 110.857 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 126.89 28.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 63.14 110.948 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.98 -70.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 44.03 112.49 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.451 HD12 ' O ' ' A' ' 90' ' ' THR . 4.5 pp -76.39 161.24 28.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.88 0.371 . . . . 74.0 110.885 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.741 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.7 t -41.5 126.21 2.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 75.4 111.105 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.475 HD12 ' H ' ' A' ' 116' ' ' THR . 2.3 pt? -72.2 -32.45 66.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 62.21 110.919 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.741 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.7 m -57.98 -21.53 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 71.33 111.128 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.463 ' CB ' HG23 ' A' ' 90' ' ' THR . 0.0 OUTLIER -67.2 -49.8 63.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.858 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.527 ' HA ' HD12 ' A' ' 97' ' ' LEU . 12.4 mmm180 -61.56 -48.1 82.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.865 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.773 ' CE1' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -67.17 -25.32 66.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 64.01 110.827 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -75.43 -33.16 60.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.886 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 94' ' ' ARG . 10.7 mt -69.63 -50.3 45.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 73.43 110.853 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.66 HD12 ' CE ' ' A' ' 39' ' ' LYS . 10.4 pt -83.63 -21.74 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 72.21 111.142 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 20.3 p90 38.25 58.51 1.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 71.22 110.943 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.75 -37.22 4.27 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.689 -0.767 . . . . 55.14 112.498 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.014 HD22 ' HB2' ' A' ' 114' ' ' ALA . 12.2 tp -50.68 145.9 6.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 73.2 110.93 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.6 ' H ' HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER 67.14 129.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 53.43 110.953 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -179.66 -86.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 62.53 110.851 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -80.6 -20.44 43.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.889 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.67 -30.3 31.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 71.52 110.89 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -40.82 74.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 75.33 110.869 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -62.2 -22.66 66.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 72.13 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.519 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -95.12 -43.56 8.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 70.42 111.118 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 104.6 19.36 11.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 53.31 112.48 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.519 ' CD2' ' HB1' ' A' ' 108' ' ' ALA . 1.3 mm? -113.06 138.23 50.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 74.24 110.903 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -61.37 -167.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 75.25 110.862 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -161.83 162.0 29.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 54.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.422 HD12 ' SD ' ' A' ' 115' ' ' MET . 0.2 OUTLIER -121.44 136.99 54.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 71.53 110.9 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 1.014 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -120.79 129.81 53.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.042 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.422 ' SD ' HD12 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -143.24 119.71 10.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 75.42 110.846 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.475 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.1 OUTLIER -126.36 122.47 35.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 65.33 111.121 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 82' ' ' THR . 1.2 t -121.37 109.39 14.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.14 111.164 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -137.72 143.06 41.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 61.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.451 HG23 ' HB2' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -54.67 159.48 3.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.594 0.711 . . . . 44.33 111.169 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -172.11 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.243 . . . . 71.12 112.362 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -98.34 14.2 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 54.41 111.141 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.53 134.4 49.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.875 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 73.42 110.874 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.805 0.336 . . . . 55.33 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.35 171.69 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 73.54 110.906 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.04 155.07 26.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.729 -0.748 . . . . 71.52 112.501 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -167.36 164.82 15.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 74.01 110.822 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -173.42 -177.81 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 74.43 110.886 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.22 98.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.856 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -153.62 130.93 11.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 73.44 110.882 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -168.89 138.55 2.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.4 110.838 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -172.87 133.52 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 75.43 110.873 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.3 164.71 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 52.52 110.828 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.05 161.75 25.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 51.14 112.443 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 p -168.87 128.37 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 51.43 110.845 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.544 ' O ' HG22 ' A' ' 14' ' ' VAL . 2.8 t60 -126.26 -51.25 1.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 73.13 110.843 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 13' ' ' HIS . 12.1 m 43.57 -164.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 42.53 111.108 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.0 tt -173.71 140.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 65.44 111.109 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.76 122.02 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.871 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.8 p -167.08 87.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 74.33 110.824 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.3 mm -88.39 138.01 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 74.53 111.101 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -170.42 154.26 4.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 63.43 111.083 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 m -141.99 -66.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.83 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -176.26 178.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 73.52 110.871 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.68 105.4 0.18 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 45.12 112.507 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.11 167.9 29.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.867 0.365 . . . . 63.42 110.88 -179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.07 163.03 9.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 72.41 110.849 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -164.45 -179.82 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.22 111.063 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -113.01 -178.71 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 54.42 110.887 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -114.14 -26.01 8.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 61.31 110.889 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -51.98 138.29 25.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 52.41 110.904 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 tp -148.52 -177.41 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 73.12 110.931 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 176.47 72.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 51.13 112.489 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.14 10.78 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.233 . . . . 75.04 112.363 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mm -88.87 -68.79 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 74.03 111.099 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' O ' HG12 ' A' ' 36' ' ' ILE . . . -178.88 -86.63 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 72.25 111.072 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.16 -38.06 87.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 74.23 112.499 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.78 -37.99 88.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.797 0.332 . . . . 72.21 111.127 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.4 OUTLIER -51.34 -29.48 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 64.15 111.149 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.03 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 73.02 110.926 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.5 m -66.34 -45.16 81.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 63.23 110.892 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -32.58 74.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.488 . . . . 74.32 110.906 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 36' ' ' ILE . 30.6 t -62.06 -41.8 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.23 111.121 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -56.96 -35.75 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.866 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.72 ' HB2' ' CG2' ' A' ' 98' ' ' ILE . . . -77.81 -22.33 50.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 73.04 111.065 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.25 -24.33 66.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 64.41 111.072 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 71.6 mt -60.29 -20.08 57.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 72.13 110.909 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.3 161.73 28.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.718 0.771 . . . . 61.13 110.824 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 102.97 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 62.14 112.34 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.7 t -175.63 -176.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 71.24 111.154 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -128.34 144.8 51.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 62.51 110.928 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -132.04 126.94 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 75.1 110.898 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.15 114.43 17.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 71.14 110.896 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.882 HD12 ' HG ' ' A' ' 79' ' ' LEU . 6.4 tt -126.46 129.37 48.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.929 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.484 HD11 ' HG2' ' A' ' 78' ' ' ARG . 1.1 pp -127.32 116.07 42.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 70.13 111.131 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -111.75 105.24 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -29.94 44.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.838 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 52.27 -172.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 73.32 110.858 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -135.42 169.75 17.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 53.25 110.882 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -149.37 -71.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.903 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.64 126.43 4.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 61.23 110.885 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.07 -169.66 2.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 75.24 111.103 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.01 19.91 41.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.77 . . . . 61.14 112.524 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 55.86 25.87 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.804 0.335 . . . . 72.11 110.87 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 52.44 -170.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 74.5 110.939 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.28 175.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 62.42 111.118 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -158.39 146.24 18.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 55.03 110.883 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -169.43 83.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.873 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 97.2 -21.05 48.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.727 -0.749 . . . . 33.21 112.507 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -170.86 155.66 4.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.956 0.408 . . . . 70.3 110.839 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.3 t -119.16 -31.69 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 54.14 111.123 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -160.42 -169.97 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 63.12 111.112 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.2 t -148.69 -60.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 63.43 110.845 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 62.73 -170.04 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 53.44 110.9 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.48 83.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.43 111.063 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.72 -22.94 2.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.794 -0.717 . . . . 74.4 112.543 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.474 ' C ' HG23 ' A' ' 75' ' ' THR . 2.0 tp10 -97.85 -53.77 3.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.983 0.421 . . . . 73.42 110.886 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.636 HG21 HD23 ' A' ' 113' ' ' LEU . 1.0 OUTLIER 64.09 140.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.23 111.115 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -121.54 -21.38 6.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 64.43 110.839 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.766 ' CZ ' HD11 ' A' ' 51' ' ' LEU . 10.7 t80 -112.3 133.83 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 73.34 110.876 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG2' HD11 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -148.7 145.79 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.84 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.882 ' HG ' HD12 ' A' ' 51' ' ' LEU . 1.1 tt -123.37 126.13 46.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 55.21 110.905 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -135.91 118.72 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.42 110.913 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.3 m -116.74 135.14 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 71.35 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.4 m -119.22 113.6 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.01 111.177 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.06 103.67 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 71.53 110.849 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.542 ' HB2' HG23 ' A' ' 119' ' ' THR . 2.2 m-20 72.07 0.06 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.883 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.57 84.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 74.44 111.158 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -178.75 57.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 70.35 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.1 142.02 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 71.11 110.908 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -163.6 -93.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 32.21 112.498 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.84 160.76 20.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 62.11 110.903 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.8 p 59.3 29.8 19.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 74.42 111.136 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -72.6 -34.34 67.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 71.2 110.98 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.6 m -60.29 -22.08 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 61.02 111.159 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -63.8 -42.0 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 62.24 110.931 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -68.67 -48.49 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.21 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -64.69 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 72.12 110.847 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -73.92 -39.3 63.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 74.43 110.904 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.99 -49.59 65.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 74.22 110.933 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.72 ' CG2' ' HB2' ' A' ' 42' ' ' ALA . 33.9 pt -81.39 -23.75 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.04 111.151 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 36.2 p90 38.94 40.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 75.03 110.918 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.75 -37.16 57.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 73.53 112.491 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 114' ' ' ALA . 57.3 tp -62.22 154.82 26.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 52.01 110.966 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.76 54.13 0.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 64.53 110.903 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.0 p -139.28 -79.3 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 63.23 110.9 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.1 -23.17 44.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 72.44 110.871 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.457 ' HG3' ' HB2' ' A' ' 112' ' ' ALA . 1.3 tm-20 -53.15 -40.64 64.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 74.02 110.918 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.36 -27.29 35.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 65.01 110.86 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.22 -30.06 65.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 51.23 110.919 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -73.59 -46.4 47.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 55.02 111.08 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.3 -6.32 39.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 62.22 112.484 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.744 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.2 145.28 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.818 0.342 . . . . 73.12 110.89 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -47.62 163.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.43 110.813 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -131.37 161.54 32.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 61.4 111.107 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.636 HD23 HG21 ' A' ' 75' ' ' THR . 0.5 OUTLIER -128.71 129.12 45.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.0 110.923 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.624 ' HB3' HD22 ' A' ' 101' ' ' LEU . . . -130.92 121.64 25.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 52.1 111.025 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 11.9 ptp -119.62 119.78 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.22 110.853 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.5 t -106.44 126.07 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.54 111.18 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.86 109.57 15.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 62.42 111.154 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.24 149.22 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 70.02 110.877 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.542 HG23 ' HB2' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -49.93 159.64 0.74 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.567 0.698 . . . . 74.55 111.179 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 135.97 31.93 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.706 2.271 . . . . 70.02 112.334 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.56 -18.19 39.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 74.23 111.123 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.12 134.84 54.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 74.53 110.907 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 71.01 110.918 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mpp? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.763 0.316 . . . . 74.55 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 mtp85 -109.49 142.59 40.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 62.34 110.872 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 138.64 145.79 4.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 64.2 112.52 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.92 123.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.897 0.38 . . . . 73.54 110.843 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -149.43 145.03 26.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 63.32 110.878 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -162.21 137.21 7.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 73.21 110.901 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -148.62 158.83 44.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 75.33 110.848 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -176.48 158.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 62.32 110.808 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -171.53 159.65 5.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 54.43 110.864 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.71 175.86 1.03 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.895 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.52 133.07 1.87 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.78 -0.724 . . . . 51.35 112.509 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.24 167.49 23.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 60.01 110.828 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -139.68 114.15 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 70.03 110.862 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.2 p -109.6 137.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.11 111.125 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.468 HD13 ' N ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -165.69 145.6 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 62.53 111.104 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.468 ' N ' HD13 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -160.8 159.01 29.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 74.44 110.873 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 t -99.94 -176.85 3.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 74.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.6 tp -157.45 135.83 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 75.43 111.096 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.21 150.88 1.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 63.24 111.096 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -171.57 156.09 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.891 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -177.41 123.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 53.41 110.894 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.39 -172.17 38.63 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 75.21 112.488 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.47 -44.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 73.33 110.86 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.73 168.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.864 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -143.22 175.56 9.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 65.14 111.084 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -79.2 -179.71 6.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 72.24 110.906 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -140.63 166.14 25.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 63.02 110.87 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -98.56 153.57 18.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 63.32 110.955 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.14 176.63 8.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 63.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.01 -176.79 16.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.742 . . . . 33.44 112.486 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 127.05 14.05 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 70.0 112.326 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.619 ' H ' HD13 ' A' ' 36' ' ' ILE . 10.5 pt -118.35 -28.79 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 75.32 111.141 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB2' ' CB ' ' A' ' 53' ' ' ASN . . . -138.65 153.75 48.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 51.52 111.088 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.25 -38.77 57.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.741 -0.742 . . . . 41.23 112.473 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.538 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -61.17 -25.85 67.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.801 0.334 . . . . 74.23 111.12 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -50.95 -31.02 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 61.3 111.114 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -40.18 97.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 71.15 110.887 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.2 p -65.22 -45.36 85.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 70.3 110.829 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -63.14 -33.42 75.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 74.54 110.893 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 t -61.71 -41.41 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.158 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -26.72 68.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 64.4 110.891 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.62 -22.32 37.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 74.12 111.136 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . . . -60.44 -22.95 64.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 74.23 111.088 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.87 -32.16 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.904 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.47 159.89 28.88 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.672 0.749 . . . . 72.43 110.839 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 104.7 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 65.24 112.323 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 t -176.12 -171.89 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 74.33 111.171 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -127.64 124.37 37.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 61.04 110.88 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 43' ' ' ALA . 6.9 p90 -115.47 130.86 57.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 62.12 110.877 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HB3' ' HG3' ' A' ' 80' ' ' GLU . 1.9 tppt? -128.02 113.52 15.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 74.2 110.904 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.815 HD12 HD23 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -128.41 119.36 24.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.878 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.5 117.96 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 75.33 111.128 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.538 ' CB ' ' HB2' ' A' ' 33' ' ' ALA . 0.1 OUTLIER -108.79 122.48 47.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -120.74 29.28 7.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 72.02 110.918 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 41.1 t -49.64 165.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.04 110.87 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -148.15 127.64 13.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.834 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -85.09 -69.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.886 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -134.19 152.51 51.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.852 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.58 -57.58 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 60.44 111.077 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.45 -115.87 0.5 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 71.33 112.486 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.2 p80 -160.52 30.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 73.02 110.838 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -172.62 50.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.964 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.07 75.82 1.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 73.42 111.095 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.95 -70.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 73.35 110.845 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -178.17 -35.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 55.5 110.81 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -153.26 111.96 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 73.31 112.49 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.3 p -101.76 104.48 15.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.964 0.411 . . . . 63.22 110.828 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.3 t -106.7 -1.51 22.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 75.33 111.154 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.92 -169.86 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 73.12 111.101 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -57.32 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.24 110.852 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 t0 63.52 -169.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 65.25 110.867 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 57.97 23.39 9.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 41.24 111.062 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 171.56 -28.44 0.11 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.746 -0.74 . . . . 74.05 112.47 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -66.48 -64.83 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.945 0.402 . . . . 72.53 110.889 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.2 p 51.65 -171.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 55.11 111.128 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.579 ' HD2' HD23 ' A' ' 110' ' ' LEU . 25.3 p80 -174.96 -30.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 71.33 110.854 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.417 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 18.5 t80 -109.05 133.26 53.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.44 110.87 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -150.4 142.91 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.854 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.815 HD23 HD12 ' A' ' 51' ' ' LEU . 3.1 tm? -130.02 117.77 20.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.852 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.438 ' HG3' ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -123.77 144.14 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 63.32 110.874 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.46 HG13 ' HB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -134.99 126.66 47.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 74.45 111.122 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.8 m -120.92 114.09 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.21 111.15 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.26 103.24 9.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 53.35 110.866 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 68.38 4.79 4.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 64.32 110.917 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 42.89 84.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 64.11 111.093 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.413 ' HB2' HG23 ' A' ' 119' ' ' THR . 0.1 OUTLIER -176.38 94.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.898 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.16 124.77 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 61.41 110.915 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -144.5 -39.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 61.41 112.493 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.827 HD23 ' HA ' ' A' ' 120' ' ' PRO . 4.6 pp -103.85 160.22 14.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.937 0.398 . . . . 71.1 110.921 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.573 ' HB ' HG22 ' A' ' 92' ' ' VAL . 49.0 p -46.72 105.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.142 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.608 ' HB2' HG23 ' A' ' 116' ' ' THR . 1.9 pt? -54.86 -26.07 32.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.33 110.886 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.573 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.2 m -56.98 -23.0 17.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 73.4 111.118 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -49.23 66.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 51.14 110.874 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -64.5 -47.46 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 73.55 110.885 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.553 ' CD2' HG22 ' A' ' 116' ' ' THR . 4.0 m-70 -60.97 -34.28 74.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.4 110.808 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -73.55 -33.13 64.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 71.11 110.941 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 94' ' ' ARG . 32.0 mt -60.47 -51.77 68.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 75.23 110.91 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.66 -27.51 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 54.54 111.078 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.8 p90 38.05 42.61 0.48 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 73.51 110.901 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.94 -26.52 37.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 51.4 112.465 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 114' ' ' ALA . 10.9 mp -51.8 151.69 3.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 35.14 110.938 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.8 tt 63.92 74.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.21 110.949 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 t -133.31 -80.46 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 70.04 110.867 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -79.27 -22.48 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 73.3 110.876 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.79 -52.01 58.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 55.12 110.883 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -57.85 -25.36 60.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.881 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -13.81 60.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.41 110.945 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.504 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -111.06 -45.52 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 72.54 111.129 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.549 ' O ' HD13 ' A' ' 110' ' ' LEU . . . 106.8 18.8 10.27 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 65.5 112.493 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.596 ' N ' HD22 ' A' ' 110' ' ' LEU . 0.4 OUTLIER -121.26 134.57 55.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 75.41 110.906 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.3 169.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 74.54 110.863 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -139.17 161.73 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 61.51 111.068 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.6 150.13 47.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 53.45 110.867 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.786 ' HB3' HD21 ' A' ' 101' ' ' LEU . . . -152.25 142.5 22.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.42 111.083 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.7 mtm -142.74 120.37 11.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.918 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.608 HG23 ' HB2' ' A' ' 91' ' ' LEU . 6.4 t -122.4 114.71 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 61.24 111.135 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.31 110.23 16.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.145 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -132.81 146.0 51.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 72.43 110.89 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.413 HG23 ' HB2' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -58.7 159.61 12.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.587 0.708 . . . . 74.12 111.118 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.827 ' HA ' HD23 ' A' ' 89' ' ' LEU . 53.7 Cg_endo -69.68 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.742 2.295 . . . . 70.44 112.322 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -101.24 -18.27 16.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 65.31 111.089 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.43 107.37 19.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 71.12 110.867 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 62.51 110.897 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 ptp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.74 0.305 . . . . 72.14 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mtm-85 61.05 85.51 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.908 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 95.15 121.85 3.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 75.11 112.505 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.64 125.97 7.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 75.1 110.876 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -149.26 113.34 5.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 74.25 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.55 -176.93 5.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 75.21 110.852 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 60.63 87.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 74.42 110.885 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -137.7 118.96 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 73.04 110.838 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -121.1 160.08 24.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 65.01 110.866 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -174.73 127.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 73.04 110.865 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.13 159.73 28.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 75.1 112.492 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 76.1 p -173.76 113.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 72.12 110.835 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -142.12 122.8 14.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 73.01 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -100.78 166.79 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 61.22 111.155 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.5 tt -140.98 145.89 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 73.22 111.124 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.52 145.63 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 54.22 110.869 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.77 177.44 3.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 63.34 110.871 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 tt -157.39 150.15 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.5 111.089 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.24 170.8 9.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 40.14 111.094 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 p -150.45 157.36 42.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 70.24 110.876 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -76.68 175.89 8.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 73.55 110.897 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.33 -158.03 7.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.676 -0.774 . . . . 74.25 112.457 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 t -168.83 176.66 5.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.841 0.353 . . . . 64.22 110.916 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.51 147.63 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 73.24 110.841 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -165.29 166.52 18.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 70.53 111.129 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.46 101.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.889 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -164.73 81.26 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 71.14 110.876 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.74 76.22 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 65.32 110.89 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -168.42 75.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 73.51 110.919 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.77 168.18 47.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 60.31 112.448 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' ILE . 54.1 Cg_endo -69.8 -48.72 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 75.21 112.366 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' PRO . 36.5 pt 37.43 42.46 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 62.13 111.121 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' ' 36' ' ' ILE . . . 179.94 105.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.08 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.21 -39.41 50.65 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.78 -26.7 68.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.708 0.29 . . . . 71.45 111.13 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -51.46 -30.68 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 51.02 111.114 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -41.72 97.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.05 110.92 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.2 m -65.03 -43.87 90.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 65.02 110.864 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -62.27 -35.24 78.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.939 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.5 t -62.32 -37.66 79.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 64.12 111.167 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.59 -37.31 80.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 73.01 110.899 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.466 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -78.21 -20.71 51.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 72.42 111.103 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.51 -33.04 70.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 62.32 111.111 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.0 mt -60.0 -39.27 85.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 60.31 110.928 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.89 164.32 61.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.712 0.768 . . . . 64.45 110.846 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 63.42 1.82 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 73.54 112.317 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -151.4 177.23 10.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 65.51 111.155 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -129.7 125.43 35.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 62.14 110.858 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.481 ' CE2' HD13 ' A' ' 98' ' ' ILE . 6.4 m-85 -118.04 131.32 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 72.51 110.876 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -127.12 120.75 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 71.13 110.938 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -123.95 127.27 47.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 72.44 110.896 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -125.45 115.55 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 74.41 111.131 179.826 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.44 124.78 52.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 71.32 110.922 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.98 -33.89 8.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 75.02 110.873 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.43 -170.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 40.05 110.823 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -111.3 143.71 41.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 75.35 110.882 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -114.31 150.32 34.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 74.42 110.867 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.27 148.88 28.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 72.04 110.861 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.01 179.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 64.52 111.106 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 136.41 86.62 0.2 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 54.44 112.469 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.2 t60 59.5 44.97 14.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 74.31 110.876 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 56.66 93.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.45 110.902 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.43 98.06 10.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 75.53 111.074 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.43 109.87 2.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 73.12 110.907 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -166.91 46.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 71.15 110.859 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.45 118.65 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 75.25 112.504 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 p -114.95 160.0 20.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.944 0.402 . . . . 70.34 110.867 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.3 m -123.75 -36.55 2.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 75.01 111.121 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 62.53 101.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 73.23 111.081 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 t -161.22 -58.06 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 72.34 110.828 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 60.79 99.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -159.05 107.22 1.84 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 55.52 111.108 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.53 -21.18 35.4 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.746 -0.74 . . . . 65.21 112.468 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.458 ' C ' HG23 ' A' ' 75' ' ' THR . 3.7 tp10 -69.37 -67.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 74.42 110.935 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.458 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.56 136.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 72.33 111.12 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.432 ' H ' HD23 ' A' ' 110' ' ' LEU . 63.3 m170 -121.88 -12.94 8.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 75.25 110.868 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.461 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 7.7 m-85 -112.0 136.55 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.43 110.875 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.504 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.8 OUTLIER -147.88 118.0 7.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 74.11 110.874 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.718 ' HB2' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -111.86 117.0 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 62.21 110.906 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -121.69 145.48 47.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.9 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -143.45 126.95 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 74.31 111.115 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 32.5 m -119.53 115.15 23.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 61.24 111.157 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 104.22 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 53.33 110.885 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.55 3.48 4.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 74.44 110.842 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.05 77.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 65.53 111.146 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.559 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 179.38 78.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 54.01 110.87 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.97 142.59 35.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 63.4 110.887 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -151.58 -36.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.709 -0.757 . . . . 73.31 112.533 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.664 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -115.77 161.76 18.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 41.52 110.891 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.665 ' OG1' HG22 ' A' ' 92' ' ' VAL . 9.1 t -44.09 127.34 5.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.32 111.143 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -64.71 -25.94 68.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 74.34 110.914 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.665 HG22 ' OG1' ' A' ' 90' ' ' THR . 4.7 m -57.21 -22.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 75.53 111.161 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -49.75 67.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.899 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -67.31 -40.48 86.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.52 110.842 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -68.76 -33.32 73.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 72.43 110.895 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -74.11 -33.22 63.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 54.33 110.859 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.9 mt -65.07 -51.41 61.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 74.24 110.976 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.481 HD13 ' CE2' ' A' ' 49' ' ' PHE . 9.3 pt -81.87 -20.9 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 73.15 111.137 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.8 p90 39.2 43.35 0.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 71.03 110.966 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -80.92 -37.6 18.6 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.768 -0.73 . . . . 23.44 112.478 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 114' ' ' ALA . 7.8 tp -69.79 166.17 19.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 74.43 110.948 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 tp 65.18 80.19 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 61.15 110.909 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.54 -88.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.3 110.852 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.446 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 10.6 t70 -80.67 -19.31 45.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.487 . . . . 71.1 110.902 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.13 -40.57 70.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 64.33 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -53.7 -36.76 62.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.919 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -61.36 -31.22 71.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 74.42 110.874 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.22 -46.28 71.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 73.42 111.123 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.41 -6.46 39.02 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 62.44 112.495 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.739 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.62 143.79 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 73.53 110.961 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -177.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.32 110.864 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -140.08 163.74 31.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 72.21 111.093 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.53 125.56 48.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 73.11 110.914 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.754 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -123.54 141.76 51.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 64.4 111.073 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.8 mtm -142.77 120.42 11.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 64.33 110.842 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.472 ' CB ' HG13 ' A' ' 81' ' ' VAL . 0.8 OUTLIER -125.68 122.39 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 42.2 111.129 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.47 109.79 15.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 72.54 111.156 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.441 ' HE2' ' HB2' ' A' ' 121' ' ' ALA . 0.5 OUTLIER -135.18 142.68 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.911 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.559 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -63.04 159.77 44.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.578 0.704 . . . . 62.55 111.135 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.467 ' HD2' HG22 ' A' ' 119' ' ' THR . 53.9 Cg_endo -69.8 112.35 3.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 75.43 112.326 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.441 ' HB2' ' HE2' ' A' ' 118' ' ' LYS . . . -86.02 -18.27 32.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 63.53 111.071 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.47 127.76 52.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 73.03 110.889 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 74.55 110.936 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.777 0.323 . . . . 65.42 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.9 mmm180 -64.4 154.26 36.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 65.33 110.909 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 170.89 -161.33 34.09 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 41.45 112.447 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.98 176.11 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.869 0.366 . . . . 61.23 110.874 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.41 171.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 75.5 110.852 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -154.72 44.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.841 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -129.21 101.42 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.878 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -166.02 111.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.811 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -174.06 105.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 70.31 110.882 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -173.49 171.01 4.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 64.24 110.84 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.15 -152.15 6.81 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.749 -0.739 . . . . 73.12 112.528 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.1 -65.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 64.13 110.875 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' VAL . 9.6 m80 71.35 -70.0 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 75.2 110.878 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' HIS . 27.1 m 36.97 44.15 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 62.34 111.12 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.5 mm 65.31 151.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 75.04 111.136 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.71 153.14 22.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 62.31 110.857 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.83 164.51 19.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 73.15 110.83 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 pt -144.32 175.7 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 73.1 111.134 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -125.57 175.07 7.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 52.22 111.09 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.7 m -143.63 -171.9 3.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 52.31 110.869 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -137.79 -177.38 4.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.895 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -143.54 -174.2 15.64 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.72 . . . . 55.05 112.528 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.41 -176.56 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 73.43 110.861 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.7 mpp? -135.52 178.21 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.1 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.06 166.45 21.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 72.23 111.13 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -152.01 165.29 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 60.23 110.884 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 179.46 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 63.22 110.857 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.11 106.3 2.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 75.25 110.931 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 17.9 mt -140.23 128.37 22.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 61.54 110.914 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.9 170.16 47.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 43.1 112.463 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 168.15 22.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.664 2.243 . . . . 71.44 112.324 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.548 ' HB ' HD12 ' A' ' 36' ' ' ILE . 55.4 mt -137.22 -70.41 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 52.45 111.134 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -134.88 164.83 26.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 63.3 111.061 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.62 -38.56 52.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.689 -0.767 . . . . 52.01 112.51 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.28 -26.35 66.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 61.52 111.088 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.718 ' O ' HG23 ' A' ' 40' ' ' VAL . 4.8 tt -52.27 -32.05 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 63.41 111.128 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -66.41 -37.77 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 73.23 110.914 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.4 m -64.47 -47.99 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 74.31 110.901 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 36' ' ' ILE . 3.1 ptmt -63.94 -33.74 76.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 52.32 110.91 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.1 t -59.11 -40.83 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 71.35 111.16 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -55.13 -36.01 65.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 71.3 110.91 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.63 -21.48 64.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 70.33 111.133 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . . . -60.97 -24.87 66.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 72.51 111.108 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.45 -21.55 62.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 71.14 110.906 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.6 161.05 26.33 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.668 0.747 . . . . 51.31 110.899 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 98.15 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 72.14 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -175.67 -171.55 0.48 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 75.03 111.138 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -128.45 146.77 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 72.05 110.848 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 43' ' ' ALA . 5.6 p90 -130.11 134.24 47.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 75.15 110.856 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -127.93 117.28 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.909 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.02 HD12 HD23 ' A' ' 79' ' ' LEU . 1.4 tt -124.8 121.34 34.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 54.23 110.914 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.3 pp -121.95 113.95 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 71.34 111.156 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -112.27 126.86 55.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 64.53 110.884 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.02 -43.99 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.11 110.845 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.32 -168.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 64.15 110.852 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.2 176.18 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 70.25 110.843 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -136.49 -52.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 72.31 110.918 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.412 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 54.6 p-80 -156.63 149.08 23.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.0 110.879 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 58' ' ' HIS . . . 67.33 -79.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.43 111.122 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.53 -73.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.726 -0.75 . . . . 64.25 112.483 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.53 ' CE1' ' HB2' ' A' ' 63' ' ' ALA . 0.1 OUTLIER -134.11 24.69 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.31 . . . . 73.52 110.813 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.5 t80 72.21 -69.09 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.438 . . . . 75.54 110.934 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' A' ' 61' ' ' HIS . . . 58.18 24.28 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 72.33 111.1 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.916 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -144.28 25.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.03 110.856 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.55 158.48 28.8 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 60.32 112.49 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 p -169.73 -178.84 3.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.954 0.407 . . . . 71.23 110.832 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.8 t -61.81 -36.82 82.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 73.4 111.177 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 60.48 170.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 64.21 111.089 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -147.24 -63.82 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 71.41 110.839 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.12 57.97 1.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 62.23 110.86 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.93 -25.1 7.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.088 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -120.65 30.6 5.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.753 . . . . 62.32 112.479 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.436 ' C ' HG23 ' A' ' 75' ' ' THR . 5.4 tp10 -106.6 -65.68 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 61.44 110.92 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.436 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.3 p 64.66 123.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 71.44 111.147 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.23 -16.85 9.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.846 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 105' ' ' GLU . 13.9 m-85 -112.23 135.63 52.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 62.41 110.896 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -145.91 136.52 24.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.877 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.02 HD23 HD12 ' A' ' 51' ' ' LEU . 2.6 tm? -129.61 118.32 21.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.911 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -138.35 144.33 40.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 72.4 110.851 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.713 HG22 ' HB ' ' A' ' 116' ' ' THR . 1.0 OUTLIER -124.67 143.62 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 61.31 111.149 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -119.51 112.35 19.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 61.15 111.162 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.53 102.83 9.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.873 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' HB2' HG23 ' A' ' 119' ' ' THR . 7.8 m-20 65.81 9.57 6.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.881 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.61 79.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 53.23 111.116 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.69 91.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 72.43 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.632 ' HE3' HD13 ' A' ' 91' ' ' LEU . 7.7 tttm -76.63 124.37 27.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 74.42 110.856 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.513 ' C ' HD13 ' A' ' 89' ' ' LEU . . . -140.63 -30.07 0.18 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.782 -0.723 . . . . 72.32 112.524 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -105.38 160.68 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 75.32 110.911 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.646 ' HB ' HG22 ' A' ' 92' ' ' VAL . 68.9 p -49.75 100.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.125 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.632 HD13 ' HE3' ' A' ' 87' ' ' LYS . 2.6 pt? -51.52 -25.78 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 73.13 110.94 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.646 HG22 ' HB ' ' A' ' 90' ' ' THR . 19.5 m -55.96 -25.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 52.45 111.11 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.719 ' HE3' HD11 ' A' ' 97' ' ' LEU . 1.4 tmtp? -66.36 -51.16 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 74.14 110.888 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.584 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -62.5 -48.6 78.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 72.42 110.905 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.649 ' CD2' HD23 ' A' ' 101' ' ' LEU . 5.8 t-80 -59.88 -33.25 71.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 74.21 110.82 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.43 -32.8 64.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.719 HD11 ' HE3' ' A' ' 93' ' ' LYS . 46.2 mt -61.69 -50.15 73.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.908 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 pt -82.01 -33.59 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.24 111.14 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.0 p90 38.76 41.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.966 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -87.61 1.37 85.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 65.42 112.514 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.717 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 4.4 mm? -80.96 56.63 2.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.864 0.364 . . . . 72.42 110.901 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.27 103.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 64.43 110.893 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.4 t 179.46 -77.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 62.22 110.887 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -78.8 -27.85 44.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.114 -0.493 . . . . 71.4 110.843 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.58 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 0.4 OUTLIER -52.98 -39.95 63.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 55.31 110.84 -179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -27.99 60.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 60.25 110.871 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.0 ttmt -65.93 -16.83 64.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.03 110.915 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.461 ' CB ' HD22 ' A' ' 110' ' ' LEU . . . -116.96 -42.23 2.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 70.53 111.119 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.53 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 107.92 19.28 9.2 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 60.23 112.46 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.4 OUTLIER -107.69 139.29 42.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.832 0.349 . . . . 53.32 110.96 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -168.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.866 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.58 ' HB2' ' HG2' ' A' ' 105' ' ' GLU . . . -162.65 154.9 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 73.05 111.087 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.479 HD11 ' HE ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -122.4 151.14 41.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.931 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.717 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -132.24 126.75 34.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 60.44 111.135 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 3.4 mtm -142.24 116.95 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 72.42 110.895 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.713 ' HB ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -125.92 129.79 50.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.244 -0.434 . . . . 75.51 111.151 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.7 109.78 14.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 74.43 111.159 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.17 140.59 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 73.54 110.95 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.408 HG23 ' HB2' ' A' ' 84' ' ' ASP . 0.9 OUTLIER -57.57 160.04 8.25 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.606 0.717 . . . . 64.14 111.087 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.764 ' HA ' HD21 ' A' ' 89' ' ' LEU . 53.7 Cg_endo -69.74 171.87 13.65 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.657 2.238 . . . . 73.01 112.34 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.32 14.23 24.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -130.06 121.19 25.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 53.4 110.884 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.918 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.2 ptt? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.756 0.312 . . . . 61.14 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -120.79 119.16 31.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 136.19 167.25 11.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 62.14 112.474 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 t -177.8 -72.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 62.11 110.887 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.1 m80 63.01 166.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.865 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -174.33 -177.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 72.51 110.877 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -138.04 166.71 23.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 62.41 110.873 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.8 p80 -138.57 -173.86 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 74.35 110.836 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -157.66 -174.12 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 65.24 110.906 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.49 -170.1 3.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 74.12 110.829 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -179.45 -97.09 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 50.12 112.449 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.21 164.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 45.03 110.866 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -158.2 -174.18 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.13 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 m -151.3 165.46 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 61.52 111.133 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.477 HD13 ' N ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -172.82 146.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 75.34 111.129 179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.477 ' N ' HD13 ' A' ' 15' ' ' ILE . 2.7 p -178.12 141.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 61.05 110.865 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -179.4 140.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 61.04 110.84 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 16.1 tt -176.9 136.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 70.32 111.127 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -178.27 133.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 72.02 111.106 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.41 129.44 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 71.11 110.819 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.56 136.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 75.34 110.893 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.09 120.39 1.79 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 72.54 112.518 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -179.28 107.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 74.03 110.862 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -174.76 96.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 74.43 110.862 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -178.26 105.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 70.11 111.08 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -174.9 102.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.443 . . . . 52.52 110.872 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.21 150.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.31 110.861 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.2 167.83 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.44 110.962 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.0 mt -152.26 179.4 8.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.875 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.95 76.34 0.23 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 54.24 112.482 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 154.48 67.54 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.673 2.248 . . . . 74.4 112.32 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.667 ' N ' HD13 ' A' ' 36' ' ' ILE . 75.6 mt -141.79 -72.15 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 75.44 111.156 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.23 162.56 12.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 53.33 111.122 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -53.02 -37.82 54.55 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 73.54 112.484 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.797 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -60.92 -25.69 66.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 73.05 111.106 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -50.77 -31.28 9.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 63.01 111.125 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -39.92 96.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.89 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -64.51 -45.23 88.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 74.51 110.905 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 3.3 pttm -64.15 -33.57 76.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.41 110.882 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 t -61.67 -38.16 79.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 70.54 111.112 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -57.15 -38.23 73.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 72.03 110.849 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.41 ' HB1' ' CE1' ' A' ' 49' ' ' PHE . . . -78.03 -19.4 54.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 35.35 111.105 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 40' ' ' VAL . . . -57.32 -38.58 74.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 71.14 111.104 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mp -60.32 -37.21 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 72.33 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.428 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -73.3 166.64 41.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.619 0.723 . . . . 54.43 110.893 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 54.1 Cg_endo -69.71 75.02 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 73.25 112.332 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 8.9 t -172.89 174.26 3.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 73.23 111.171 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -127.87 125.55 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 75.32 110.891 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.53 ' CE2' HD13 ' A' ' 98' ' ' ILE . 11.0 m-85 -115.23 133.5 55.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 53.32 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.17 130.4 52.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 62.24 110.893 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.797 HD11 ' HB3' ' A' ' 35' ' ' ALA . 5.9 tt -129.37 122.52 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 70.42 110.875 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 78' ' ' ARG . 1.4 pp -125.32 117.07 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.15 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -109.15 122.64 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 42.33 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.47 -33.74 10.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 64.35 110.902 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.9 -175.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 53.14 110.876 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -150.66 150.91 31.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 54.45 110.868 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -64.73 -168.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.895 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.32 122.56 42.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.887 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.6 -175.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 72.23 111.082 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.62 55.64 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 74.23 112.504 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -122.48 -6.97 8.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.333 . . . . 75.14 110.858 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 64.48 -177.72 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 74.45 110.92 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.58 109.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 64.24 111.081 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 72.3 -69.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -168.32 28.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 62.25 110.852 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 50.99 82.84 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 64.54 112.498 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 p -65.03 -35.7 82.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.911 0.386 . . . . 75.31 110.855 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 68' ' ' THR . 24.8 m 52.77 60.85 3.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.24 111.171 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -137.62 98.63 3.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.104 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.7 t -176.05 -76.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 73.13 110.821 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 49.82 86.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 70.13 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.78 119.9 20.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 64.11 111.126 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 63.44 51.09 57.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 75.13 112.47 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' C ' HG23 ' A' ' 75' ' ' THR . 6.8 tp10 -135.62 -74.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 75.53 110.913 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.457 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.1 p 63.5 142.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 72.42 111.155 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.423 ' CD2' HD11 ' A' ' 110' ' ' LEU . 4.8 m-70 -121.84 -23.66 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.851 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -112.18 135.24 53.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.935 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.551 ' HG2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -138.78 146.08 40.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.861 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -126.25 114.79 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 71.14 110.938 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.94 149.22 42.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 63.32 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.467 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.3 OUTLIER -143.62 129.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.05 111.141 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.4 m -118.3 120.24 37.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 54.43 111.123 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -124.45 104.45 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.31 110.869 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.05 8.95 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.501 . . . . 74.44 110.899 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 44.21 77.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 70.23 111.118 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CB ' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 179.82 92.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 72.05 110.914 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.17 138.57 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 73.03 110.907 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -154.52 -76.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.725 . . . . 61.04 112.454 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.1 159.73 30.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 73.11 110.94 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.686 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.8 t -47.94 129.84 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 70.12 111.135 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.549 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.2 pt? -71.9 -25.29 61.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.55 110.957 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.686 HG22 ' OG1' ' A' ' 90' ' ' THR . 6.3 m -56.68 -23.93 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 72.51 111.123 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.595 ' HE2' HD11 ' A' ' 97' ' ' LEU . 11.2 tmtt? -68.13 -49.42 61.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 52.42 110.876 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -47.23 78.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 75.31 110.844 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -62.58 -34.14 76.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.896 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -73.87 -33.04 63.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 72.14 110.936 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.595 HD11 ' HE2' ' A' ' 93' ' ' LYS . 22.7 mt -61.14 -52.86 63.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.932 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.53 HD13 ' CE2' ' A' ' 49' ' ' PHE . 27.3 pt -82.96 -22.39 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.52 111.12 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.4 p90 38.54 45.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.31 110.913 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -96.45 -8.47 57.43 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.753 -0.736 . . . . 73.3 112.455 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.117 HD13 ' HB2' ' A' ' 114' ' ' ALA . 7.0 tp -82.67 55.43 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 64.11 110.912 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.0 tp 179.18 93.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 73.5 110.926 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.2 -75.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 64.31 110.866 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -67.57 -33.88 75.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 71.23 110.865 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -38.22 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 71.3 110.879 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -65.46 -26.72 68.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 73.42 110.865 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -80.04 -13.92 58.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.52 110.946 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.82 -41.63 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.02 111.089 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.09 -7.41 40.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 62.33 112.519 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.74 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -120.22 143.08 48.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.802 0.334 . . . . 64.14 110.942 -179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.84 173.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 70.33 110.867 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -131.47 163.17 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 74.44 111.109 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -120.69 148.86 43.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.931 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 1.117 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -141.83 141.05 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 70.33 111.127 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.5 mtp -143.07 120.08 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.41 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.467 ' CB ' HG13 ' A' ' 81' ' ' VAL . 0.7 OUTLIER -122.83 124.64 43.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.129 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.65 109.92 15.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.93 139.24 46.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 71.13 110.883 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.583 HG23 ' CB ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -53.07 158.94 2.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.595 0.712 . . . . 61.31 111.192 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.512 ' HD2' HG22 ' A' ' 119' ' ' THR . 53.3 Cg_endo -69.8 -177.46 1.9 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 53.04 112.327 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -100.46 14.17 32.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 72.33 111.084 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.42 132.67 35.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 71.11 110.87 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.772 0.32 . . . . 70.12 110.854 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.11 135.08 44.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 75.53 110.879 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.8 122.4 1.03 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 34.32 112.456 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.64 132.34 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 73.21 110.862 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.82 147.63 3.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 60.12 110.849 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 53.7 t60 -169.77 146.0 3.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 63.04 110.898 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 32.6 p80 -130.7 -176.6 4.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 72.35 110.869 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -158.16 -176.18 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 72.15 110.842 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -162.52 131.95 4.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 63.52 110.912 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -121.8 -173.35 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 44.34 110.881 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.49 -155.03 6.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 75.41 112.498 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.03 168.09 8.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 72.13 110.841 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -177.29 144.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 75.42 110.876 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.9 p -158.57 139.98 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.094 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.9 pt -136.57 155.25 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 53.31 111.143 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -133.2 -177.47 4.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 61.3 110.863 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.49 -60.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 61.32 110.83 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 tt -158.66 149.76 7.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 64.13 111.133 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -164.27 138.36 5.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 70.21 111.092 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.2 t -163.4 163.1 25.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.829 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.39 -170.65 3.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.902 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -94.04 -158.57 33.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 75.43 112.508 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.2 p -136.7 -174.84 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 62.23 110.846 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.0 175.45 5.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.889 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.95 -170.88 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 65.21 111.059 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.61 178.4 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.899 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -127.4 174.78 8.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 60.33 110.841 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.63 ' C ' HD13 ' A' ' 29' ' ' LEU . 1.6 mt-30 -118.86 158.68 25.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 71.03 110.902 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.63 HD13 ' C ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -155.46 165.2 37.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 60.41 110.923 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -62.26 177.85 5.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.752 -0.737 . . . . 64.01 112.491 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -85.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.623 2.215 . . . . 60.42 112.354 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 33' ' ' ALA . 3.2 mm 60.07 167.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 73.13 111.139 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 36' ' ' ILE . . . -121.97 -151.84 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 72.21 111.077 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -47.05 -34.63 7.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 65.14 112.466 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.574 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . -52.95 -30.92 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.759 0.314 . . . . 74.0 111.089 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.906 HG22 ' O ' ' A' ' 33' ' ' ALA . 19.0 tt -60.43 -32.17 50.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 64.14 111.144 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -37.2 84.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 72.31 110.901 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.2 t -64.85 -48.18 75.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 55.41 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 65.01 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 36' ' ' ILE . 39.5 t -60.45 -37.61 75.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.12 111.108 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.56 -40.92 72.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 63.54 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.13 -22.14 66.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 75.34 111.105 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . . . -61.46 -24.5 66.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 75.11 111.129 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.39 -23.59 64.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 64.41 110.861 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.63 161.35 25.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.663 0.744 . . . . 51.02 110.86 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 96.28 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.712 2.275 . . . . 64.12 112.337 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.422 ' HG1' ' H ' ' A' ' 48' ' ' HIS . 11.5 t -175.72 -171.31 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 64.33 111.11 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.422 ' H ' ' HG1' ' A' ' 47' ' ' THR . 3.0 t-160 -128.37 145.83 50.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.35 110.853 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 43' ' ' ALA . 9.9 p90 -133.2 127.53 33.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.875 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -127.34 112.45 15.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 71.52 110.902 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.574 HD21 ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -127.86 127.17 42.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 74.44 110.937 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.422 HD11 ' HD2' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -122.74 114.16 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.34 111.138 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.503 ' ND2' ' H ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -110.71 125.63 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 44.43 110.888 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.8 45.32 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.88 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.503 ' H ' ' ND2' ' A' ' 53' ' ' ASN . 1.0 OUTLIER -44.37 136.57 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 64.34 110.903 -179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.66 129.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 64.55 110.873 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.08 153.85 22.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 74.34 110.887 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -113.88 122.52 47.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.875 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -173.11 -179.36 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 64.13 111.084 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.99 67.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 74.33 112.453 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -157.27 24.61 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 75.33 110.819 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -175.35 158.52 2.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.438 . . . . 73.13 110.925 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.71 155.87 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 64.22 111.079 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? 52.02 78.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.903 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -148.61 55.82 1.02 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 73.21 110.859 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.34 -67.0 2.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 41.0 112.475 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.9 t 63.36 81.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.955 0.407 . . . . 62.04 110.854 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.6 t -51.97 -30.27 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 73.33 111.125 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 59.16 95.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.21 111.075 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.6 t -152.22 -74.34 0.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 72.32 110.868 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.691 ' HB3' HD12 ' A' ' 110' ' ' LEU . 1.5 m-20 57.72 45.68 18.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 72.43 110.834 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -116.75 -23.98 7.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 52.12 111.096 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -91.22 -30.03 11.59 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 72.42 112.467 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' C ' HG23 ' A' ' 75' ' ' THR . 9.2 tp10 -67.94 -56.64 8.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.897 0.379 . . . . 74.12 110.903 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.447 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.63 127.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 64.42 111.171 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -116.7 -17.16 10.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 51.44 110.881 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.42 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 9.1 m-85 -111.51 135.05 52.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 72.21 110.883 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HD2' HD11 ' A' ' 52' ' ' ILE . 0.6 OUTLIER -149.66 141.0 23.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 63.51 110.835 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.732 ' HB2' HD23 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -134.83 119.58 18.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.907 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -144.12 146.3 32.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 75.13 110.881 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.713 HG22 ' HB ' ' A' ' 116' ' ' THR . 2.9 m -132.0 141.85 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.44 111.083 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -119.23 113.64 21.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.52 111.124 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.06 104.18 11.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.808 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.68 8.7 6.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 73.23 110.868 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.99 80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 71.14 111.119 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.409 ' HB3' HG22 ' A' ' 119' ' ' THR . 2.7 t80 -177.53 75.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 75.33 110.908 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 130.74 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 70.52 110.902 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -150.36 -63.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 51.24 112.503 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.0 mt -76.25 160.06 30.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.939 0.4 . . . . 71.41 110.897 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.736 ' OG1' HG22 ' A' ' 92' ' ' VAL . 11.4 t -46.53 128.04 9.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 64.31 111.159 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 115' ' ' MET . 2.4 pt? -71.73 -32.23 67.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.883 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.736 HG22 ' OG1' ' A' ' 90' ' ' THR . 5.9 m -56.99 -21.78 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 75.32 111.102 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -50.01 59.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.939 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.788 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -67.61 -47.65 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 53.45 110.896 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -59.59 -35.32 74.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 62.41 110.857 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.54 -34.34 65.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 71.31 110.923 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 94' ' ' ARG . 10.4 mt -61.32 -49.62 76.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 62.35 110.932 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.8 pt -82.84 -27.11 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 55.53 111.119 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.0 48.58 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 71.1 110.945 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.67 -36.83 5.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.757 . . . . 45.33 112.511 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.732 HD23 ' HB2' ' A' ' 79' ' ' LEU . 1.0 OUTLIER -76.05 65.79 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 50.52 110.917 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 101' ' ' LEU . 0.3 OUTLIER 174.86 57.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.888 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.43 -75.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 73.35 110.83 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 33' ' ' ALA . 17.9 t0 -62.36 -40.52 96.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 52.41 110.857 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -30.65 35.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.2 110.871 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -73.34 -43.54 60.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 75.44 110.841 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -59.24 -20.02 50.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 75.53 110.85 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.64 ' HB1' ' CD2' ' A' ' 110' ' ' LEU . . . -93.16 -49.48 5.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 73.11 111.087 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.616 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 105.37 19.14 10.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.756 -0.735 . . . . 21.05 112.514 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.691 HD12 ' HB3' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -118.55 139.39 51.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 64.2 110.909 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -54.15 176.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.853 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.619 ' CB ' HD11 ' A' ' 101' ' ' LEU . . . -157.83 158.45 35.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.34 111.116 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.65 130.39 52.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 70.21 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -117.78 111.75 19.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 41.1 111.107 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.697 ' HA ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -138.84 118.79 13.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 74.32 110.842 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.713 ' HB ' HG22 ' A' ' 81' ' ' VAL . 0.5 OUTLIER -121.76 135.21 54.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 64.12 111.162 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.1 t -120.85 110.02 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 73.41 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.65 144.21 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 53.04 110.919 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 86' ' ' PHE . 1.2 p -51.09 159.08 1.08 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 74.35 111.15 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -170.73 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.678 2.252 . . . . 75.41 112.326 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -97.79 -18.2 18.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 62.22 111.131 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -97.07 122.25 39.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 73.1 110.873 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 75.52 110.942 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 mmt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.805 0.336 . . . . 72.32 110.889 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.4 178.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 71.32 110.906 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 152.75 -170.33 31.84 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.722 -0.751 . . . . 74.12 112.472 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -152.39 157.22 40.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 74.05 110.893 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.11 131.87 49.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 65.25 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.75 160.63 18.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 74.54 110.846 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -108.82 126.69 53.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.916 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.13 136.43 51.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.02 110.83 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -76.67 175.21 9.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 74.23 110.828 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -141.47 179.14 6.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.873 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.59 -158.96 8.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 73.22 112.461 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.15 -175.81 3.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.372 . . . . 72.23 110.864 -179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -143.65 142.45 31.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 62.31 110.867 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.6 t -107.0 104.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 73.41 111.123 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.9 tt -127.17 144.81 36.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 75.12 111.13 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.71 -177.87 5.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.801 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 m -171.2 152.13 3.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 75.44 110.824 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.0 pp -132.37 174.72 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 74.43 111.14 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -167.86 156.0 8.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 30.33 111.075 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.85 132.03 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 72.14 110.895 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.93 158.64 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.875 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.08 132.32 1.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 62.24 112.52 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.2 t -174.86 152.17 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 62.11 110.839 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.4 ttm -173.02 153.86 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 63.5 110.846 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -172.35 155.33 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 71.24 111.148 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -177.79 125.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.423 . . . . 72.32 110.853 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -154.73 115.23 3.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.826 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.94 118.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 74.24 110.909 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -106.49 154.94 20.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 64.24 110.902 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -91.43 169.28 32.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 65.24 112.43 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.55 12.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.68 2.254 . . . . 75.32 112.311 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 36' ' ' ILE . 56.6 mt -135.88 -71.21 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 64.11 111.182 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB2' ' CG ' ' A' ' 53' ' ' ASN . . . -131.16 167.77 18.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 62.1 111.105 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.86 -37.0 51.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.703 -0.76 . . . . 53.45 112.533 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.632 ' CB ' HD11 ' A' ' 51' ' ' LEU . . . -60.68 -25.21 66.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 74.32 111.08 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.1 tt -50.75 -31.8 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.24 111.111 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.57 -40.04 95.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 60.11 110.91 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.6 m -64.76 -45.6 85.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 74.51 110.866 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -64.29 -32.33 73.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.497 . . . . 62.25 110.909 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.4 t -61.64 -42.22 93.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 73.13 111.106 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -55.66 -27.54 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 72.45 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -87.93 -20.71 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 32.43 111.096 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.48 -21.63 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.45 111.077 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.8 mp -90.47 14.43 13.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 75.21 110.9 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.71 164.9 33.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.673 0.749 . . . . 70.03 110.867 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 77.46 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 71.3 112.361 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.7 t -176.42 176.64 1.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 63.5 111.156 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -129.15 125.49 37.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.21 110.868 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.721 ' CE2' HG21 ' A' ' 98' ' ' ILE . 8.8 m-85 -114.79 119.42 36.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 74.21 110.871 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' HD22 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -106.94 118.62 37.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.116 -0.493 . . . . 75.41 110.888 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.632 HD11 ' CB ' ' A' ' 35' ' ' ALA . 3.3 tt -125.62 121.14 32.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.914 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.3 114.44 39.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 72.2 111.127 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.424 ' CG ' ' HB2' ' A' ' 33' ' ' ALA . 2.4 t-20 -115.35 124.38 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 61.31 110.851 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.09 -65.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 65.45 110.866 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.32 132.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 70.44 110.882 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -139.99 172.99 11.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.876 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.01 -30.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 61.22 110.893 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.42 172.04 7.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 74.11 110.881 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -163.48 -56.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 75.41 111.127 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.01 -158.03 20.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 72.55 112.503 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -121.73 42.45 3.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 71.11 110.841 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -159.12 164.45 35.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 65.04 110.92 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.96 144.84 47.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 64.32 111.124 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -65.7 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 65.24 110.854 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.25 -35.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 64.15 110.84 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 173.96 121.99 0.65 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 70.41 112.504 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -175.81 156.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.41 . . . . 71.24 110.848 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.1 t -120.97 -37.56 2.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 71.51 111.129 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -177.96 -172.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 61.12 111.078 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.8 t -179.02 77.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 71.25 110.876 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -121.42 92.55 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 45.44 110.837 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -100.24 -30.71 11.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.045 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.89 42.08 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 64.42 112.463 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.476 ' C ' HG23 ' A' ' 75' ' ' THR . 0.5 OUTLIER -81.89 -62.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.987 0.422 . . . . 74.42 110.931 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.476 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.7 134.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 35.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 2.0 p-80 -118.81 -16.95 9.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.892 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.581 ' HE2' HD12 ' A' ' 101' ' ' LEU . 3.3 t80 -111.31 138.3 47.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.43 110.884 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.49 132.3 18.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 74.1 110.873 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.583 HD23 HD12 ' A' ' 51' ' ' LEU . 3.4 tm? -121.11 115.45 23.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 71.13 110.91 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -123.88 128.51 49.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.895 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG13 ' CB ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -119.32 128.63 75.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 70.44 111.1 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.3 m -119.03 120.38 37.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 74.13 111.135 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.82 103.68 8.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 71.41 110.883 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.07 6.63 5.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 72.12 110.873 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 46.35 78.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 65.24 111.108 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.591 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.2 OUTLIER 175.88 84.65 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 65.52 110.878 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 138.13 52.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.881 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.458 ' C ' HD13 ' A' ' 89' ' ' LEU . . . -148.54 -31.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 64.13 112.506 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' A' ' 120' ' ' PRO . 0.2 OUTLIER -104.78 159.95 15.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.897 0.38 . . . . 72.53 110.93 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.627 ' HB ' HG22 ' A' ' 92' ' ' VAL . 35.0 p -48.67 109.95 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 73.35 111.122 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -54.24 -25.33 22.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.12 110.926 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.627 HG22 ' HB ' ' A' ' 90' ' ' THR . 35.9 m -55.92 -36.51 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 52.31 111.107 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.39 -48.5 78.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 75.05 110.936 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.526 ' HB3' HG21 ' A' ' 116' ' ' THR . 0.0 OUTLIER -61.36 -36.66 80.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 74.11 110.825 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -65.99 -36.44 83.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 64.22 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -73.57 -33.27 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 53.14 110.948 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.7 mt -61.77 -50.84 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 53.13 110.917 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.721 HG21 ' CE2' ' A' ' 49' ' ' PHE . 48.6 pt -82.85 -26.06 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 74.5 111.114 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 p90 38.01 46.42 0.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 72.34 110.882 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.09 -31.89 5.77 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 73.23 112.456 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.581 HD12 ' HE2' ' A' ' 77' ' ' PHE . 15.0 tp -61.1 152.3 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 74.45 110.929 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 101' ' ' LEU . 1.5 tt 68.6 93.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.952 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.7 -67.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 60.3 110.852 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -77.51 -37.1 51.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 50.13 110.92 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -53.39 -31.46 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.52 110.931 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -27.93 58.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 60.1 110.901 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.28 -27.92 66.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 72.41 110.91 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.38 -31.42 10.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 34.32 111.12 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.589 ' C ' HD13 ' A' ' 110' ' ' LEU . . . 105.62 18.21 12.12 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.689 -0.767 . . . . 43.24 112.491 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 109' ' ' GLY . 0.5 OUTLIER -119.59 139.57 51.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 65.33 110.885 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 62.31 110.884 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -153.56 149.94 28.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 74.24 111.116 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.2 130.94 53.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.25 110.938 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -133.79 145.22 49.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 71.31 111.106 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -142.84 120.49 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.84 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 94' ' ' ARG . 1.2 p -113.91 121.66 44.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 63.34 111.131 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.3 t -121.96 108.84 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 55.14 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -130.96 149.37 52.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 50.22 110.88 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.591 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -94.22 133.48 27.25 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.611 0.72 . . . . 75.23 111.138 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.726 ' HB3' HD11 ' A' ' 89' ' ' LEU . 53.8 Cg_endo -69.83 119.94 6.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 63.22 112.312 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.49 -18.29 36.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.12 111.089 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -91.04 96.12 10.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 64.31 110.922 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 70.15 110.915 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.759 0.314 . . . . 73.43 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -163.31 167.39 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 71.33 110.899 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -129.8 159.42 22.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 43.33 112.48 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.5 p -175.36 127.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 72.23 110.903 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -162.46 92.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.877 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -155.48 84.15 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 73.41 110.835 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -159.77 167.82 27.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 71.01 110.847 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -128.56 114.69 17.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 74.2 110.835 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.07 166.6 21.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 75.04 110.876 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.16 136.4 54.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.91 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.21 -162.86 6.23 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.757 -0.735 . . . . 53.44 112.517 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 93.3 p -174.54 168.94 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.906 0.384 . . . . 74.43 110.87 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -157.56 132.24 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 74.24 110.847 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 10.5 m -116.07 159.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.144 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 pt -142.71 140.61 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 73.52 111.134 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -172.13 161.48 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.842 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -124.1 134.9 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 73.53 110.845 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.2 tt -60.03 -33.28 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.484 . . . . 61.24 111.111 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.65 67.43 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 72.35 111.118 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.23 -61.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 64.31 110.895 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? 58.85 50.73 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 71.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -131.47 148.49 18.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 62.32 112.519 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.81 111.73 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.854 0.359 . . . . 62.15 110.848 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -151.33 -169.96 3.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 74.04 110.926 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.73 161.35 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 73.35 111.071 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -177.01 -178.35 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.04 110.872 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 60.14 -171.72 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 70.11 110.855 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 58.4 95.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tp -125.27 104.67 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 51.31 110.926 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.0 175.63 47.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 42.22 112.513 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' O ' ' HB ' ' A' ' 32' ' ' ILE . 53.5 Cg_endo -69.82 -44.3 2.12 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.677 2.251 . . . . 52.15 112.302 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.71 ' HB ' HD13 ' A' ' 36' ' ' ILE . 37.4 mm 66.34 -77.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.35 111.132 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -153.36 147.29 25.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 44.02 111.133 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.67 -39.26 54.16 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 75.32 112.509 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.49 -26.51 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.762 0.315 . . . . 72.3 111.083 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.71 HD13 ' HB ' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -51.9 -30.61 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 42.2 111.17 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.97 98.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.907 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.5 m -65.61 -43.51 89.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.881 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -61.73 -36.39 80.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 73.31 110.877 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 36' ' ' ILE . 51.9 t -62.33 -39.02 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 65.54 111.131 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -61.7 -34.29 75.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 71.33 110.867 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.04 -19.92 46.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 71.54 111.16 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.68 -32.59 69.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 34.2 111.098 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -54.82 -28.62 50.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 70.13 110.919 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.461 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -84.87 168.26 21.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.727 . . . . 60.22 110.823 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 -4.92 15.04 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.672 2.248 . . . . 53.23 112.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -79.5 177.78 8.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.141 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -129.7 134.4 47.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.1 110.843 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.44 126.18 43.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 64.01 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' O ' HD22 ' A' ' 79' ' ' LEU . 15.9 ptpt -122.71 123.83 41.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 70.25 110.881 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.674 ' HB2' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -125.74 126.55 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 75.24 110.935 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.0 OUTLIER -122.7 114.36 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 73.35 111.143 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.31 125.32 53.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.21 110.907 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.24 -44.04 4.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 63.2 110.861 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t 51.05 -169.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.853 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -92.75 -32.23 14.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 73.51 110.896 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 mttt 62.14 -175.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 52.32 110.916 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.24 130.93 46.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 61.31 110.893 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 62.76 168.34 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 51.42 111.104 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.33 -79.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 64.23 112.498 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -148.13 27.09 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 73.54 110.913 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.47 114.13 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 71.41 110.908 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -141.76 162.89 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 43.44 111.083 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.91 90.6 3.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 75.42 110.904 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -179.51 -34.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 51.44 110.881 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -154.54 95.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 61.51 112.535 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.1 p -112.0 123.26 49.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.953 0.406 . . . . 73.54 110.803 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -99.49 41.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 74.15 111.138 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.36 96.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 61.41 111.085 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -179.04 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 75.55 110.838 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 62.49 97.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 72.55 110.847 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -89.38 -35.18 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.53 111.055 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.56 40.15 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 52.31 112.48 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' C ' HG23 ' A' ' 75' ' ' THR . 39.9 tp10 -77.1 -52.18 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 73.34 110.904 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.456 HG23 ' C ' ' A' ' 74' ' ' GLU . 1.2 p 64.57 126.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 75.21 111.113 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -118.11 -9.76 10.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 74.51 110.846 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 5.7 m-85 -112.61 135.35 53.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 74.14 110.903 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.521 ' HB3' HD11 ' A' ' 52' ' ' ILE . 0.5 OUTLIER -148.71 127.59 12.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 73.51 110.882 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.674 HD23 ' HB2' ' A' ' 51' ' ' LEU . 3.3 tm? -120.66 117.21 26.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.1 110.914 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -120.13 133.75 55.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 75.3 110.868 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.461 HG13 HG22 ' A' ' 116' ' ' THR . 0.3 OUTLIER -126.11 129.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.118 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 55.4 m -119.35 115.13 23.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 55.2 111.162 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.88 103.54 9.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 63.44 110.871 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 68.18 5.45 4.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 63.02 110.878 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.32 78.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 32.1 111.123 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.499 ' HB3' HG23 ' A' ' 119' ' ' THR . 1.1 t80 -176.07 72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 71.22 110.887 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.23 143.16 28.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.853 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -167.03 -36.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 71.14 112.499 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.677 HD21 ' CD ' ' A' ' 118' ' ' LYS . 4.6 pp -101.99 160.6 14.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 44.04 110.93 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 p -45.08 110.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 73.32 111.169 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -53.34 -30.07 37.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.935 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.33 -20.5 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 62.33 111.159 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HE2' HD13 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -64.46 -49.03 73.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 73.2 110.933 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HG2' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -67.14 -40.5 86.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.45 110.872 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -69.22 -42.26 75.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.82 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.37 -32.73 68.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 73.23 110.874 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.1 mt -60.81 -52.62 64.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 71.32 110.955 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.2 pt -84.02 -19.8 9.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 71.03 111.169 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 17.6 p90 38.23 58.1 1.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.927 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.94 -37.76 4.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.776 -0.726 . . . . 54.14 112.468 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.812 HD22 ' HB2' ' A' ' 114' ' ' ALA . 4.2 tp -65.33 171.61 3.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.864 0.364 . . . . 74.22 110.888 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 tp 61.06 92.04 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 65.53 110.951 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -75.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 74.11 110.842 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -73.79 -29.84 62.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 42.5 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' A' ' 112' ' ' ALA . 0.4 OUTLIER -52.75 -41.8 64.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.935 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -29.29 65.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 73.34 110.855 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -73.78 -16.68 61.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 61.2 110.871 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.498 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -93.14 -42.51 9.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 73.52 111.104 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 108.34 -3.72 33.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 64.54 112.48 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.742 ' N ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -119.76 141.49 49.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 73.44 110.87 -179.909 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -171.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.23 110.888 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -148.3 162.8 38.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.04 111.14 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.58 132.59 54.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.9 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.812 ' HB2' HD22 ' A' ' 101' ' ' LEU . . . -124.55 139.69 53.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 63.54 111.061 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -133.93 119.66 19.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 64.53 110.905 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.461 HG22 HG13 ' A' ' 81' ' ' VAL . 1.1 p -124.84 121.13 33.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 72.33 111.131 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 t -120.79 109.74 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 61.02 111.156 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.677 ' CD ' HD21 ' A' ' 89' ' ' LEU . 13.4 tmtt? -139.9 140.58 36.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.43 110.902 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.541 HG22 ' HD2' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -71.88 136.13 82.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.53 0.681 . . . . 70.13 111.138 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.555 ' HA ' HD23 ' A' ' 89' ' ' LEU . 53.9 Cg_endo -69.79 161.84 44.39 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.683 2.255 . . . . 71.15 112.331 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.38 14.17 25.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 64.34 111.106 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.5 105.43 15.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 74.53 110.918 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.883 -179.911 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 mtm . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.765 0.317 . . . . 71.42 110.83 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtp180 -145.7 145.23 30.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 73.25 110.827 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -176.94 -101.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 65.33 112.482 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.51 164.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 73.3 110.875 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.51 -174.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 61.12 110.859 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.5 p80 -164.49 151.64 11.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 72.24 110.89 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.16 -178.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 73.21 110.84 -179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.69 153.84 0.71 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 61.0 110.847 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -178.38 169.58 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.23 110.831 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 -170.8 175.19 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 71.01 110.834 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 137.3 179.13 16.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 42.31 112.49 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.2 p -165.78 169.95 14.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 73.43 110.857 -179.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -173.1 170.75 4.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.841 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 m -136.1 177.18 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 71.41 111.113 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 pt -146.69 -178.43 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 65.34 111.135 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -177.96 126.53 0.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 61.45 110.869 -179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.1 t -174.28 123.29 0.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 63.45 110.857 -179.807 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 pt -112.26 -26.15 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 72.13 111.103 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.55 163.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 43.42 111.145 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.06 137.79 14.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 70.13 110.846 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.85 -178.85 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.919 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.98 140.28 2.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 51.33 112.438 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.8 p -170.16 128.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 73.11 110.89 -179.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.05 -175.11 2.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 71.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.05 95.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 73.24 111.107 179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -120.87 66.95 0.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 63.33 110.865 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -111.72 144.72 40.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 60.33 110.847 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -175.18 -36.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.872 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.697 HD21 HG21 ' A' ' 40' ' ' VAL . 0.0 OUTLIER 70.02 -72.72 0.1 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.921 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.89 67.24 1.73 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 61.34 112.467 179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 130.92 20.22 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.71 2.273 . . . . 73.2 112.355 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.638 ' H ' HD13 ' A' ' 36' ' ' ILE . 2.0 pt -115.96 -20.85 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.32 111.117 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' HB3' HD21 ' A' ' 51' ' ' LEU . . . -149.97 153.33 36.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 60.25 111.087 179.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.52 -38.96 52.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 64.42 112.473 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.72 -26.63 67.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 64.43 111.14 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.638 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -51.36 -31.27 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 71.43 111.102 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -41.11 97.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.909 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.4 m -63.69 -43.68 95.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 73.22 110.867 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -38.96 92.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.23 110.884 179.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.697 HG21 HD21 ' A' ' 29' ' ' LEU . 40.3 t -58.63 -36.07 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 52.1 111.147 179.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.71 -34.03 69.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.33 110.872 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.29 -18.69 23.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 63.22 111.132 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -32.36 67.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 52.24 111.119 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 82.4 mt -60.21 -23.63 64.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 61.42 110.913 -179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.416 ' CB ' ' HD2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -95.93 165.88 15.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.696 0.76 . . . . 74.13 110.889 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.79 76.49 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 64.34 112.35 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.3 t -155.48 177.38 11.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 50.43 111.154 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -129.15 124.93 35.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 55.15 110.866 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.534 ' HE2' HG21 ' A' ' 98' ' ' ILE . 6.7 m-85 -120.41 127.35 52.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.51 110.87 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.66 115.82 19.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.902 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 33' ' ' ALA . 0.4 OUTLIER -118.65 132.64 56.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 72.23 110.924 179.9 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.553 HD11 ' HB3' ' A' ' 78' ' ' ARG . 1.3 pp -125.28 114.89 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.42 111.159 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -110.27 125.3 52.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.858 179.942 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.13 46.88 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 75.33 110.812 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 t -46.34 138.28 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 71.2 110.829 -179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -137.46 128.64 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 61.45 110.859 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -76.64 176.57 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 63.44 110.902 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -100.24 142.28 31.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.873 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.98 -172.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 70.52 111.114 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -73.67 -91.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 34.05 112.531 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 42.5 t60 -171.09 59.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 73.41 110.897 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -100.36 74.99 1.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 64.42 110.879 -179.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.81 -41.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.094 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? 63.23 27.05 15.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 71.32 110.878 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -117.72 -29.11 5.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.808 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.01 92.05 2.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.73 -0.748 . . . . 61.23 112.486 -179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.09 150.9 5.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.934 0.397 . . . . 64.33 110.823 -179.732 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.5 t -109.42 -30.8 7.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 71.43 111.137 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.56 -172.49 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 40.14 111.13 179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.93 47.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 62.03 110.821 -179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.81 47.31 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 63.13 110.845 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.77 86.39 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 60.34 111.079 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.12 -15.64 8.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 61.34 112.522 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.68 53.41 2.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.915 0.388 . . . . 73.3 110.892 -179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.557 HG22 ' C ' ' A' ' 111' ' ' HIS . 37.3 p -48.41 136.44 12.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 74.22 111.156 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.434 ' H ' HD23 ' A' ' 110' ' ' LEU . 2.1 m-70 -122.81 -9.11 8.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 62.33 110.825 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.448 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 7.1 m-85 -112.0 135.36 52.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.41 110.904 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 52' ' ' ILE . 1.8 ttp85 -148.84 137.71 21.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 74.01 110.911 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.748 ' HB2' HD23 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -125.45 117.65 24.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.1 110.898 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -119.17 141.14 49.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 73.24 110.898 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -144.28 127.01 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 65.41 111.111 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.42 ' HA ' HG23 ' A' ' 117' ' ' THR . 25.1 m -121.25 113.46 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 54.1 111.147 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -123.89 104.49 8.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 53.12 110.859 -179.861 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.478 ' O ' ' HB3' ' A' ' 85' ' ' ALA . 2.7 m-20 77.19 -32.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.12 110.87 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 84' ' ' ASP . . . 70.71 58.56 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 61.42 111.098 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 119' ' ' THR . 4.2 m-85 -160.36 70.04 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 73.32 110.901 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 117' ' ' THR . 0.1 OUTLIER -54.91 149.07 12.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 54.54 110.916 179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -155.1 -36.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 75.53 112.526 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.686 ' CD1' ' HB2' ' A' ' 121' ' ' ALA . 0.9 OUTLIER -114.51 162.08 17.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.933 0.397 . . . . 75.35 110.855 -179.898 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.659 ' OG1' HG22 ' A' ' 92' ' ' VAL . 12.5 t -39.42 129.55 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 65.22 111.127 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -73.01 -24.34 60.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.12 110.909 179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.659 HG22 ' OG1' ' A' ' 90' ' ' THR . 6.3 m -55.1 -23.32 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.14 111.13 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.22 -49.12 53.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 75.22 110.913 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.564 ' HA ' HD12 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -66.76 -46.97 73.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 72.14 110.855 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -61.32 -37.37 83.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.884 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.75 -31.77 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 63.4 110.878 -179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 94' ' ' ARG . 17.4 mt -61.91 -49.73 75.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 74.22 110.905 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.534 HG21 ' HE2' ' A' ' 49' ' ' PHE . 29.5 pt -82.45 -32.59 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 73.22 111.087 179.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 98' ' ' ILE . 44.1 p90 38.24 45.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.25 110.909 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -89.89 -36.96 7.0 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.789 -0.719 . . . . 63.22 112.472 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.778 ' HG ' ' HB2' ' A' ' 114' ' ' ALA . 0.9 OUTLIER -76.72 62.37 1.99 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.838 0.352 . . . . 74.23 110.936 -179.928 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 179.52 78.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 63.15 110.923 179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.63 -76.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 33.51 110.865 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 57.0 t0 -72.17 -32.79 67.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 72.42 110.856 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.01 -30.5 47.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 61.1 110.885 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -68.59 -37.68 80.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.43 110.859 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -59.45 -21.44 60.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.489 . . . . 72.25 110.906 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.861 ' HB1' HD11 ' A' ' 110' ' ' LEU . . . -81.72 -53.38 6.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.35 111.101 179.831 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 109.66 6.76 28.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 34.34 112.508 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.861 HD11 ' HB1' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -121.9 144.25 48.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 74.21 110.948 -179.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.557 ' C ' HG22 ' A' ' 75' ' ' THR . 39.2 m80 -53.53 178.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.883 179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.589 ' CB ' HD11 ' A' ' 101' ' ' LEU . . . -153.88 151.06 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 43.31 111.091 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.85 132.62 54.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 71.3 110.891 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.778 ' HB2' ' HG ' ' A' ' 101' ' ' LEU . . . -128.88 136.01 49.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.01 111.121 179.751 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 1.2 mtt -124.0 118.43 26.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.856 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.431 ' CB ' HG13 ' A' ' 81' ' ' VAL . 5.7 t -123.93 121.56 35.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.211 -0.449 . . . . 51.23 111.155 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.421 ' HA ' ' HG2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -121.85 110.24 15.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.152 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.67 159.0 43.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.928 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 86' ' ' PHE . 0.7 OUTLIER -112.33 73.86 1.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.571 0.701 . . . . 74.54 111.131 -179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.528 ' HG2' HD13 ' A' ' 89' ' ' LEU . 54.1 Cg_endo -69.69 -11.1 30.23 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.695 2.263 . . . . 61.21 112.354 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.686 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . . . -81.55 -18.16 45.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 55.31 111.095 179.896 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -89.85 100.21 13.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 61.34 110.88 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.4 110.908 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mmm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.79 0.329 . . . . 72.32 110.924 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? 62.34 172.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 71.41 110.853 -179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 154.42 174.07 24.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 73.14 112.498 -179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.82 162.47 40.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 64.22 110.87 -179.716 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -111.41 177.78 4.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 74.05 110.826 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.0 p-80 -153.5 128.46 9.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 52.35 110.853 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -130.57 164.77 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 71.23 110.891 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -114.32 140.35 48.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.861 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.37 149.83 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 74.22 110.857 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -105.33 161.6 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 52.22 110.864 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -111.11 162.18 12.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 65.14 112.472 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.07 172.82 10.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 61.04 110.843 -179.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -84.66 123.15 30.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 73.43 110.853 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.9 m -142.87 69.11 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 64.01 111.143 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 tp -59.94 -27.4 38.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 63.01 111.149 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.23 114.45 26.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 75.13 110.853 -179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.28 168.96 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 62.43 110.839 -179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.7 pt -110.05 177.65 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 71.1 111.129 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -162.17 166.79 25.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 61.03 111.074 179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 m -67.94 170.0 8.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 74.24 110.877 -179.802 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -42.52 70.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 70.52 110.876 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.69 167.39 14.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.744 -0.741 . . . . 54.22 112.449 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.0 m -129.79 -172.1 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.83 0.348 . . . . 54.55 110.867 -179.742 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.2 ptp -167.14 154.17 8.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 63.52 110.836 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.83 85.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.3 111.089 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -114.65 30.62 7.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 44.25 110.88 -179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 56.17 25.58 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 75.53 110.872 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 69.13 -75.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.9 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.634 HD23 HG21 ' A' ' 52' ' ' ILE . 1.8 mp 56.31 -177.88 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 62.3 110.943 -179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.76 76.04 0.91 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.707 -0.759 . . . . 64.2 112.494 179.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.548 ' O ' HG23 ' A' ' 32' ' ' ILE . 53.5 Cg_endo -69.77 -86.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.639 2.226 . . . . 63.31 112.367 -179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -164.03 147.5 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 75.11 111.139 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 53' ' ' ASN . . . 178.83 151.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.118 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.54 -38.39 51.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 72.33 112.507 -179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' HB3' HD11 ' A' ' 51' ' ' LEU . . . -61.88 -25.5 67.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 52.31 111.128 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -50.79 -29.44 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 60.24 111.152 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -42.85 99.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.914 179.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -65.94 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.31 110.826 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 49' ' ' PHE . 15.2 pttt -62.8 -34.09 76.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 71.22 110.897 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 36' ' ' ILE . 53.3 t -62.3 -41.97 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.12 111.112 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -58.82 -27.3 64.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.843 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.13 -20.38 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.09 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.93 -29.98 68.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 74.4 111.058 179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.9 mt -56.3 -24.84 46.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 74.02 110.957 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.79 164.08 18.2 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.653 0.74 . . . . 61.24 110.893 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 77.1 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.718 2.278 . . . . 73.13 112.346 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.1 t -155.91 177.76 11.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 62.01 111.149 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -132.44 125.1 29.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 63.1 110.831 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' HE2' HG21 ' A' ' 98' ' ' ILE . 6.1 m-85 -117.27 120.86 39.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.25 110.879 -179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -111.0 114.3 27.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 71.2 110.902 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.633 ' HB2' HD23 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -127.78 120.08 27.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 74.43 110.914 179.924 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.634 HG21 HD23 ' A' ' 29' ' ' LEU . 1.1 pt -127.37 114.72 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 72.51 111.139 179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.547 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 3.5 t-20 -110.91 126.01 54.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 64.55 110.881 179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.94 -65.43 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 75.25 110.878 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.68 160.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.825 -179.762 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -123.13 94.86 4.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 74.2 110.849 179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -56.92 177.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 71.52 110.905 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.436 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 19.5 p80 -133.67 167.54 20.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 72.1 110.847 179.867 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . . . 68.4 -78.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 72.24 111.053 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.76 -78.08 0.48 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 63.31 112.493 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 17.3 p80 -127.82 -38.84 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 74.23 110.89 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -167.37 58.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 75.11 110.892 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 59' ' ' ALA . . . -126.58 155.7 42.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 71.52 111.073 179.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -173.91 111.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 63.54 110.866 -179.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -155.15 35.26 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.872 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 71.36 -81.94 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 65.14 112.462 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 t 63.11 77.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.988 0.423 . . . . 65.44 110.854 -179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -55.58 -27.06 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.068 -0.515 . . . . 73.24 111.126 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 58.68 175.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 75.42 111.105 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.0 t -179.52 160.54 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 73.24 110.866 -179.816 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.2 120.47 4.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 60.54 110.89 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.39 -47.13 3.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.01 111.127 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -148.54 38.38 1.01 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.789 -0.72 . . . . 54.34 112.549 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -101.17 -50.46 3.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 74.21 110.925 -179.878 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.756 ' HA ' HD23 ' A' ' 110' ' ' LEU . 1.2 p 59.22 178.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 52.43 111.127 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -176.58 -31.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 70.03 110.873 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.415 ' O ' ' HB1' ' A' ' 112' ' ' ALA . 56.0 t80 -108.02 134.13 51.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 63.24 110.871 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.469 ' HD2' HD11 ' A' ' 52' ' ' ILE . 5.5 ptm180 -151.21 136.89 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 63.13 110.875 -179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.633 HD23 ' HB2' ' A' ' 51' ' ' LEU . 2.3 tm? -123.35 116.06 22.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 64.14 110.888 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.415 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -120.49 150.56 40.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 65.04 110.877 179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.451 HG13 ' HA ' ' A' ' 116' ' ' THR . 0.2 OUTLIER -144.1 124.81 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 65.13 111.162 179.969 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.1 m -119.66 114.88 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 74.42 111.145 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.12 104.22 10.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 51.44 110.882 -179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.85 6.26 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 63.12 110.839 179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 45.61 80.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 63.2 111.097 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.659 ' HB3' HG23 ' A' ' 119' ' ' THR . 0.3 OUTLIER 178.79 91.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.44 110.844 -179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -78.75 148.63 32.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 64.42 110.874 179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 176.74 -30.97 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 43.33 112.465 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.618 HD21 ' CD ' ' A' ' 118' ' ' LYS . 4.2 pp -93.48 161.26 14.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.9 0.381 . . . . 74.21 110.927 -179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.42 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -42.06 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 73.43 111.095 179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.558 ' HB2' HG23 ' A' ' 116' ' ' THR . 2.3 pt? -68.58 -34.86 76.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 65.4 110.954 179.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.7 m -59.96 -29.94 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.32 111.102 179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.531 ' CE ' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -65.96 -44.04 86.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 61.24 110.911 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -47.66 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 63.33 110.844 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -59.86 -37.47 79.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.85 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -73.06 -38.38 66.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.9 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.531 HD11 ' CE ' ' A' ' 93' ' ' LYS . 12.6 mt -51.93 -50.67 60.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.895 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.561 HG21 ' HE2' ' A' ' 49' ' ' PHE . 24.3 pt -77.97 -34.86 19.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 51.33 111.132 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.9 t80 46.05 49.26 12.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 72.04 110.925 -179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -100.9 -13.84 33.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.765 -0.731 . . . . 52.13 112.467 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.607 HD22 ' H ' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -69.58 160.2 31.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 64.54 110.872 -179.886 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.5 tp 65.15 100.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 75.44 110.916 179.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.77 -81.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 64.21 110.824 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -79.4 -39.79 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 64.33 110.891 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -53.57 -43.39 68.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.879 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -58.45 -31.82 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 74.11 110.885 -179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.56 -27.84 66.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 75.51 110.93 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.871 ' HB3' HD12 ' A' ' 110' ' ' LEU . . . -103.5 -25.14 13.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 71.13 111.111 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 82.02 4.14 90.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 53.24 112.493 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.871 HD12 ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -76.3 147.54 38.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.37 . . . . 72.14 110.898 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -73.41 132.03 42.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.881 179.849 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 77' ' ' PHE . . . -115.51 162.81 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 71.31 111.091 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.36 151.19 42.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 74.44 110.943 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -135.67 140.98 44.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 63.33 111.071 179.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.5 mtp -143.11 119.5 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 73.24 110.852 179.933 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' ' 91' ' ' LEU . 3.5 t -128.33 113.45 15.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 63.51 111.143 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.5 t -121.33 109.85 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 74.04 111.137 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.618 ' CD ' HD21 ' A' ' 89' ' ' LEU . 2.5 tttm -133.64 141.89 47.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 64.42 110.924 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.659 HG23 ' HB3' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -79.2 133.91 59.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.574 0.702 . . . . 64.45 111.149 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.426 ' HD2' HG22 ' A' ' 119' ' ' THR . 53.7 Cg_endo -69.77 165.46 30.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 63.21 112.35 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.97 -18.19 44.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 74.04 111.123 179.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -98.05 117.81 33.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.842 -179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 63.04 110.945 -179.969 . . . . . . . . 0 0 . 1 stop_ save_